N-[3-(4-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide

C21H23N3OS2 — CID 46925885

IUPACN-[3-(4-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1sc2c(c1-c1nc(-c3ccccc3)cs1)CCN(C(C)C)C2
InChIInChI=1S/C21H23N3OS2/c1-13(2)24-10-9-16-18(11-24)27-21(22-14(3)25)19(16)20-23-17(12-26-20)15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3,(H,22,25)
InChIKeyOAUFLOAIBLNCFJ-UHFFFAOYSA-N
MW397.57 g/mol
LogP5.26
Rot. Bonds4

About N-[3-(4-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide

N-[3-(4-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide (PubChem CID 46925885) has the molecular formula C21H23N3OS2 and a molecular weight of 397.57 g/mol. Its IUPAC name is N-[3-(4-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide
PubChem CID46925885
Molecular FormulaC21H23N3OS2
Molecular Weight397.57 g/mol
Exact Mass397.13
IUPAC NameN-[3-(4-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1sc2c(c1-c1nc(-c3ccccc3)cs1)CCN(C(C)C)C2
InChIInChI=1S/C21H23N3OS2/c1-13(2)24-10-9-16-18(11-24)27-21(22-14(3)25)19(16)20-23-17(12-26-20)15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3,(H,22,25)
InChIKeyOAUFLOAIBLNCFJ-UHFFFAOYSA-N
XLogP5.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.57
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide?
The IUPAC name of N-[3-(4-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide (CID 46925885) is N-[3-(4-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[3-(4-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide?
The canonical SMILES for N-[3-(4-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide is CC(=O)Nc1sc2c(c1-c1nc(-c3ccccc3)cs1)CCN(C(C)C)C2.
What is the InChIKey of N-[3-(4-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide?
The InChIKey is OAUFLOAIBLNCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS2/c1-13(2)24-10-9-16-18(11-24)27-21(22-14(3)25)19(16)20-23-17(12-26-20)15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3,(H,22,25).
What are the key properties of N-[3-(4-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide?
N-[3-(4-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide has a molecular weight of 397.57 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 46925885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).