N-[1-[2-(3-tert-butylanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide

C23H26N6OS — CID 89051119

IUPACN-[1-[2-(3-tert-butylanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2cccc(C(C)(C)C)c2)s1
InChIInChI=1S/C23H26N6OS/c1-14(27-21(30)17-10-19-18(11-24-17)26-13-29(19)5)20-12-25-22(31-20)28-16-8-6-7-15(9-16)23(2,3)4/h6-14H,1-5H3,(H,25,28)(H,27,30)
InChIKeyFQFSMMNGVIRESM-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.96
Rot. Bonds5

About N-[1-[2-(3-tert-butylanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide

N-[1-[2-(3-tert-butylanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 89051119) has the molecular formula C23H26N6OS and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[1-[2-(3-tert-butylanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(3-tert-butylanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide
PubChem CID89051119
Molecular FormulaC23H26N6OS
Molecular Weight434.57 g/mol
Exact Mass434.19
IUPAC NameN-[1-[2-(3-tert-butylanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2cccc(C(C)(C)C)c2)s1
InChIInChI=1S/C23H26N6OS/c1-14(27-21(30)17-10-19-18(11-24-17)26-13-29(19)5)20-12-25-22(31-20)28-16-8-6-7-15(9-16)23(2,3)4/h6-14H,1-5H3,(H,25,28)(H,27,30)
InChIKeyFQFSMMNGVIRESM-UHFFFAOYSA-N
XLogP4.96
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[2-(3-tert-butylanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-tert-butylanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-[1-[2-(3-tert-butylanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide (CID 89051119) is N-[1-[2-(3-tert-butylanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-[2-(3-tert-butylanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-[1-[2-(3-tert-butylanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide is CC(NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2cccc(C(C)(C)C)c2)s1.
What is the InChIKey of N-[1-[2-(3-tert-butylanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is FQFSMMNGVIRESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS/c1-14(27-21(30)17-10-19-18(11-24-17)26-13-29(19)5)20-12-25-22(31-20)28-16-8-6-7-15(9-16)23(2,3)4/h6-14H,1-5H3,(H,25,28)(H,27,30).
What are the key properties of N-[1-[2-(3-tert-butylanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
N-[1-[2-(3-tert-butylanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-tert-butylanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 89051119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).