(4S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

C15H21N5OS — CID 95871408

IUPAC(4S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCc1nc(CCCNC(=O)[C@H]2NCCc3[nH]cnc32)sc1C
InChIInChI=1S/C15H21N5OS/c1-9-10(2)22-12(20-9)4-3-6-17-15(21)14-13-11(5-7-16-14)18-8-19-13/h8,14,16H,3-7H2,1-2H3,(H,17,21)(H,18,19)/t14-/m0/s1
InChIKeyPMUYFYYLRUBISJ-AWEZNQCLSA-N
MW319.43 g/mol
LogP1.42
Rot. Bonds5

About (4S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

(4S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 95871408) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is (4S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID95871408
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name(4S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCc1nc(CCCNC(=O)[C@H]2NCCc3[nH]cnc32)sc1C
InChIInChI=1S/C15H21N5OS/c1-9-10(2)22-12(20-9)4-3-6-17-15(21)14-13-11(5-7-16-14)18-8-19-13/h8,14,16H,3-7H2,1-2H3,(H,17,21)(H,18,19)/t14-/m0/s1
InChIKeyPMUYFYYLRUBISJ-AWEZNQCLSA-N
XLogP1.42
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4R)-N-(3-cyclohexyloxypropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95868430
(4S)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95872075
(4R)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95893801
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70724211
(4R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95866555
(4S)-N-[3-(2-ethylimidazol-1-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 125437460
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70781629
(4R)-N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95893769
N-[3-[(3-methylphenyl)methylsulfanyl]propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70785667
(4S)-N-(3,3-diphenylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 125445481
N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70769656
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70751357

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of (4S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (CID 95871408) is (4S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for (4S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for (4S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is Cc1nc(CCCNC(=O)[C@H]2NCCc3[nH]cnc32)sc1C.
What is the InChIKey of (4S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is PMUYFYYLRUBISJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-9-10(2)22-12(20-9)4-3-6-17-15(21)14-13-11(5-7-16-14)18-8-19-13/h8,14,16H,3-7H2,1-2H3,(H,17,21)(H,18,19)/t14-/m0/s1.
What are the key properties of (4S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
(4S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 95871408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).