3-(propan-2-ylamino)-N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide

C63H75N15O3S6 — CID 157436016

IUPAC3-(propan-2-ylamino)-N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
SMILESCC(C)NCCC(=O)Nc1sc2c(c1-c1nc(-c3ccccn3)cs1)CCNC2.CC(C)NCCC(=O)Nc1sc2c(c1-c1nc(-c3cccnc3)cs1)CCNC2.CC(C)NCCC(=O)Nc1sc2c(c1-c1nc(-c3ccncc3)cs1)CCNC2
InChIInChI=1S/3C21H25N5OS2/c1-13(2)24-10-6-18(27)26-21-19(15-5-9-23-11-17(15)29-21)20-25-16(12-28-20)14-3-7-22-8-4-14;1-13(2)24-9-6-18(27)26-21-19(15-5-8-23-11-17(15)29-21)20-25-16(12-28-20)14-4-3-7-22-10-14;1-13(2)23-10-7-18(27)26-21-19(14-6-9-22-11-17(14)29-21)20-25-16(12-28-20)15-5-3-4-8-24-15/h3-4,7-8,12-13,23-24H,5-6,9-11H2,1-2H3,(H,26,27);3-4,7,10,12-13,23-24H,5-6,8-9,11H2,1-2H3,(H,26,27);3-5,8,12-13,22-23H,6-7,9-11H2,1-2H3,(H,26,27)
InChIKeyBRCLMCDKYIMDSR-UHFFFAOYSA-N
MW1282.80 g/mol
LogP11.72
Rot. Bonds21

About 3-(propan-2-ylamino)-N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide

3-(propan-2-ylamino)-N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide (PubChem CID 157436016) has the molecular formula C63H75N15O3S6 and a molecular weight of 1282.80 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide.

Molecular Properties

Compound Name3-(propan-2-ylamino)-N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
PubChem CID157436016
Molecular FormulaC63H75N15O3S6
Molecular Weight1282.80 g/mol
Exact Mass1281.45
IUPAC Name3-(propan-2-ylamino)-N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
SMILESCC(C)NCCC(=O)Nc1sc2c(c1-c1nc(-c3ccccn3)cs1)CCNC2.CC(C)NCCC(=O)Nc1sc2c(c1-c1nc(-c3cccnc3)cs1)CCNC2.CC(C)NCCC(=O)Nc1sc2c(c1-c1nc(-c3ccncc3)cs1)CCNC2
InChIInChI=1S/3C21H25N5OS2/c1-13(2)24-10-6-18(27)26-21-19(15-5-9-23-11-17(15)29-21)20-25-16(12-28-20)14-3-7-22-8-4-14;1-13(2)24-9-6-18(27)26-21-19(15-5-8-23-11-17(15)29-21)20-25-16(12-28-20)14-4-3-7-22-10-14;1-13(2)23-10-7-18(27)26-21-19(14-6-9-22-11-17(14)29-21)20-25-16(12-28-20)15-5-3-4-8-24-15/h3-4,7-8,12-13,23-24H,5-6,9-11H2,1-2H3,(H,26,27);3-4,7,10,12-13,23-24H,5-6,8-9,11H2,1-2H3,(H,26,27);3-5,8,12-13,22-23H,6-7,9-11H2,1-2H3,(H,26,27)
InChIKeyBRCLMCDKYIMDSR-UHFFFAOYSA-N
XLogP11.72
TPSA236.82 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001282.80
LogP ≤ 511.72
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Analyze 3-(propan-2-ylamino)-N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide?
The IUPAC name of 3-(propan-2-ylamino)-N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide (CID 157436016) is 3-(propan-2-ylamino)-N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide.
What is the SMILES notation for 3-(propan-2-ylamino)-N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide?
The canonical SMILES for 3-(propan-2-ylamino)-N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide is CC(C)NCCC(=O)Nc1sc2c(c1-c1nc(-c3ccccn3)cs1)CCNC2.CC(C)NCCC(=O)Nc1sc2c(c1-c1nc(-c3cccnc3)cs1)CCNC2.CC(C)NCCC(=O)Nc1sc2c(c1-c1nc(-c3ccncc3)cs1)CCNC2.
What is the InChIKey of 3-(propan-2-ylamino)-N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide?
The InChIKey is BRCLMCDKYIMDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H25N5OS2/c1-13(2)24-10-6-18(27)26-21-19(15-5-9-23-11-17(15)29-21)20-25-16(12-28-20)14-3-7-22-8-4-14;1-13(2)24-9-6-18(27)26-21-19(15-5-8-23-11-17(15)29-21)20-25-16(12-28-20)14-4-3-7-22-10-14;1-13(2)23-10-7-18(27)26-21-19(14-6-9-22-11-17(14)29-21)20-25-16(12-28-20)15-5-3-4-8-24-15/h3-4,7-8,12-13,23-24H,5-6,9-11H2,1-2H3,(H,26,27);3-4,7,10,12-13,23-24H,5-6,8-9,11H2,1-2H3,(H,26,27);3-5,8,12-13,22-23H,6-7,9-11H2,1-2H3,(H,26,27).
What are the key properties of 3-(propan-2-ylamino)-N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide?
3-(propan-2-ylamino)-N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide has a molecular weight of 1282.80 g/mol, XLogP of 11.72, 21 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide is sourced from PubChem (CID 157436016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).