3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide

C22H24N6OS3 — CID 145201757

IUPAC3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
SMILESCc1nc(C)c(CNCCC(=O)Nc2sc3c(c2-c2nc4cnccc4s2)CCNC3)s1
InChIInChI=1S/C22H24N6OS3/c1-12-17(30-13(2)26-12)10-25-8-5-19(29)28-22-20(14-3-6-24-11-18(14)32-22)21-27-15-9-23-7-4-16(15)31-21/h4,7,9,24-25H,3,5-6,8,10-11H2,1-2H3,(H,28,29)
InChIKeyGRCFRTCPLTYGFR-UHFFFAOYSA-N
MW484.68 g/mol
LogP4.26
Rot. Bonds7

About 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide

3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide (PubChem CID 145201757) has the molecular formula C22H24N6OS3 and a molecular weight of 484.68 g/mol. Its IUPAC name is 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide.

Molecular Properties

Compound Name3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
PubChem CID145201757
Molecular FormulaC22H24N6OS3
Molecular Weight484.68 g/mol
Exact Mass484.12
IUPAC Name3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
SMILESCc1nc(C)c(CNCCC(=O)Nc2sc3c(c2-c2nc4cnccc4s2)CCNC3)s1
InChIInChI=1S/C22H24N6OS3/c1-12-17(30-13(2)26-12)10-25-8-5-19(29)28-22-20(14-3-6-24-11-18(14)32-22)21-27-15-9-23-7-4-16(15)31-21/h4,7,9,24-25H,3,5-6,8,10-11H2,1-2H3,(H,28,29)
InChIKeyGRCFRTCPLTYGFR-UHFFFAOYSA-N
XLogP4.26
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.68
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide?
The IUPAC name of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide (CID 145201757) is 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide.
What is the SMILES notation for 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide?
The canonical SMILES for 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide is Cc1nc(C)c(CNCCC(=O)Nc2sc3c(c2-c2nc4cnccc4s2)CCNC3)s1.
What is the InChIKey of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide?
The InChIKey is GRCFRTCPLTYGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6OS3/c1-12-17(30-13(2)26-12)10-25-8-5-19(29)28-22-20(14-3-6-24-11-18(14)32-22)21-27-15-9-23-7-4-16(15)31-21/h4,7,9,24-25H,3,5-6,8,10-11H2,1-2H3,(H,28,29).
What are the key properties of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide?
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide has a molecular weight of 484.68 g/mol, XLogP of 4.26, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide is sourced from PubChem (CID 145201757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).