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

C15H21N5OS — CID 70724211

IUPACN-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCC(C)c1nc(CCNC(=O)C2NCCc3[nH]cnc32)cs1
InChIInChI=1S/C15H21N5OS/c1-9(2)15-20-10(7-22-15)3-5-17-14(21)13-12-11(4-6-16-13)18-8-19-12/h7-9,13,16H,3-6H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyFHZVJNGWGHSAAI-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.54
Rot. Bonds5

About 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

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 (PubChem CID 70724211) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID70724211
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCC(C)c1nc(CCNC(=O)C2NCCc3[nH]cnc32)cs1
InChIInChI=1S/C15H21N5OS/c1-9(2)15-20-10(7-22-15)3-5-17-14(21)13-12-11(4-6-16-13)18-8-19-12/h7-9,13,16H,3-6H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyFHZVJNGWGHSAAI-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(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
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
(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
(2R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119869426
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;dihydrochloride
CID 119869432
cis-(1R,2S)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132098
(4S)-N-[3-(2-ethylimidazol-1-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 125437460
(4R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 125439427
(4R)-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95862542
2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869470
(4R)-N-(3-cyclohexyloxypropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95868430
1-[(4-cyanophenyl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
CID 56823468

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1nc(CCNC(=O)C2NCCc3[nH]cnc32)cs1.
What is the InChIKey of 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?
The InChIKey is FHZVJNGWGHSAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-9(2)15-20-10(7-22-15)3-5-17-14(21)13-12-11(4-6-16-13)18-8-19-12/h7-9,13,16H,3-6H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 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?
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 has a molecular weight of 319.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 70724211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).