6-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C15H19N5O2S — CID 133340452

IUPAC6-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCC1(CO)CCCC1Nc1ccc(C(=O)Nc2nncs2)cn1
InChIInChI=1S/C15H19N5O2S/c1-15(8-21)6-2-3-11(15)18-12-5-4-10(7-16-12)13(22)19-14-20-17-9-23-14/h4-5,7,9,11,21H,2-3,6,8H2,1H3,(H,16,18)(H,19,20,22)
InChIKeyNNVQRIJTMGRFRZ-UHFFFAOYSA-N
MW333.42 g/mol
LogP2.15
Rot. Bonds5

About 6-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133340452) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 6-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133340452
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name6-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCC1(CO)CCCC1Nc1ccc(C(=O)Nc2nncs2)cn1
InChIInChI=1S/C15H19N5O2S/c1-15(8-21)6-2-3-11(15)18-12-5-4-10(7-16-12)13(22)19-14-20-17-9-23-14/h4-5,7,9,11,21H,2-3,6,8H2,1H3,(H,16,18)(H,19,20,22)
InChIKeyNNVQRIJTMGRFRZ-UHFFFAOYSA-N
XLogP2.15
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 97022282
6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340384
6-(methylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62185563
6-(3-cyclohexylbutan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133356999
6-[(1-cyclohexylpiperidin-3-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339180
6-[(1-phenylsulfanylcyclopentyl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339197
6-[bis(cyclopropylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339682
6-[(2-pentan-3-yloxan-4-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133461877
6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133448107
(2S,3S)-3-methyl-2-[[5-(1,3,4-thiadiazol-2-ylcarbamoyl)-2-pyridinyl]amino]pentanoic acid
CID 122050446
6-[2-(diethylamino)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133381329
6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339930

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133340452) is 6-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CC1(CO)CCCC1Nc1ccc(C(=O)Nc2nncs2)cn1.
What is the InChIKey of 6-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is NNVQRIJTMGRFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-15(8-21)6-2-3-11(15)18-12-5-4-10(7-16-12)13(22)19-14-20-17-9-23-14/h4-5,7,9,11,21H,2-3,6,8H2,1H3,(H,16,18)(H,19,20,22).
What are the key properties of 6-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133340452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).