N,2-bis(cyclopropylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide

C18H21N3OS — CID 91662527

IUPACN,2-bis(cyclopropylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC2CC2)sc1C(=O)N(CC1CC1)c1cccnc1
InChIInChI=1S/C18H21N3OS/c1-12-17(23-16(20-12)9-13-4-5-13)18(22)21(11-14-6-7-14)15-3-2-8-19-10-15/h2-3,8,10,13-14H,4-7,9,11H2,1H3
InChIKeyORVVXGNNZGCCQQ-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.86
Rot. Bonds6

About N,2-bis(cyclopropylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide

N,2-bis(cyclopropylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 91662527) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N,2-bis(cyclopropylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,2-bis(cyclopropylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID91662527
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN,2-bis(cyclopropylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC2CC2)sc1C(=O)N(CC1CC1)c1cccnc1
InChIInChI=1S/C18H21N3OS/c1-12-17(23-16(20-12)9-13-4-5-13)18(22)21(11-14-6-7-14)15-3-2-8-19-10-15/h2-3,8,10,13-14H,4-7,9,11H2,1H3
InChIKeyORVVXGNNZGCCQQ-UHFFFAOYSA-N
XLogP3.86
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-2-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 75383418
N-(cyclopropylmethyl)-2-[(2R)-oxolan-2-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 97078479
N-(cyclopropylmethyl)-N-pyridin-3-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 99637473
N-(cyclopropylmethyl)-1-(2-methylpropyl)-N-pyridin-3-ylpyrazole-4-carboxamide
CID 75501481
N-(cyclopropylmethyl)-N-pyridin-3-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 154837772
1-(cyclopropylmethyl)-3-phenyl-1-pyridin-3-ylurea
CID 30845448
1-(2-chlorophenyl)-N-(cyclopropylmethyl)-4-methyl-N-pyridin-3-ylpyrazole-3-carboxamide
CID 99608516
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 1459374
2-butyl-4-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 55982085
methyl 4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxylate
CID 115327961
N-(isoquinolin-1-ylmethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 166276311
6-(4-bromopyrazol-1-yl)-N-(cyclopropylmethyl)-N-pyridin-3-ylpyridazine-3-carboxamide
CID 99637493

Frequently Asked Questions

What is the IUPAC name of N,2-bis(cyclopropylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N,2-bis(cyclopropylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 91662527) is N,2-bis(cyclopropylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,2-bis(cyclopropylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,2-bis(cyclopropylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(CC2CC2)sc1C(=O)N(CC1CC1)c1cccnc1.
What is the InChIKey of N,2-bis(cyclopropylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ORVVXGNNZGCCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-12-17(23-16(20-12)9-13-4-5-13)18(22)21(11-14-6-7-14)15-3-2-8-19-10-15/h2-3,8,10,13-14H,4-7,9,11H2,1H3.
What are the key properties of N,2-bis(cyclopropylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
N,2-bis(cyclopropylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(cyclopropylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91662527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).