N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide

C19H22N4OS — CID 72861011

IUPACN-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)N(C)Cc2cnn(-c3ccccc3C)c2)cs1
InChIInChI=1S/C19H22N4OS/c1-4-7-18-21-16(13-25-18)19(24)22(3)11-15-10-20-23(12-15)17-9-6-5-8-14(17)2/h5-6,8-10,12-13H,4,7,11H2,1-3H3
InChIKeyRSQNMCSSCKLFOY-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.86
Rot. Bonds6

About N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide

N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide (PubChem CID 72861011) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
PubChem CID72861011
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)N(C)Cc2cnn(-c3ccccc3C)c2)cs1
InChIInChI=1S/C19H22N4OS/c1-4-7-18-21-16(13-25-18)19(24)22(3)11-15-10-20-23(12-15)17-9-6-5-8-14(17)2/h5-6,8-10,12-13H,4,7,11H2,1-3H3
InChIKeyRSQNMCSSCKLFOY-UHFFFAOYSA-N
XLogP3.86
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66390430
2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66374204
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]oxolane-3-carboxamide
CID 56759420
2-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119681703
3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]urea
CID 122566068
N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide
CID 125161477
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine
CID 131920376
2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 62789282
2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine
CID 82282392
(9S)-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125155795
2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66388082

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide (CID 72861011) is N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)N(C)Cc2cnn(-c3ccccc3C)c2)cs1.
What is the InChIKey of N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is RSQNMCSSCKLFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-4-7-18-21-16(13-25-18)19(24)22(3)11-15-10-20-23(12-15)17-9-6-5-8-14(17)2/h5-6,8-10,12-13H,4,7,11H2,1-3H3.
What are the key properties of N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide?
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72861011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).