2-methyl-4-(2-methylpropyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazole-5-carboxamide

C15H23N5OS — CID 119037284

IUPAC2-methyl-4-(2-methylpropyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(C)C)c(C(=O)NCC(C)c2nncn2C)s1
InChIInChI=1S/C15H23N5OS/c1-9(2)6-12-13(22-11(4)18-12)15(21)16-7-10(3)14-19-17-8-20(14)5/h8-10H,6-7H2,1-5H3,(H,16,21)
InChIKeyNOBHEHNASNDSMZ-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.31
Rot. Bonds6

About 2-methyl-4-(2-methylpropyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazole-5-carboxamide

2-methyl-4-(2-methylpropyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazole-5-carboxamide (PubChem CID 119037284) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-methyl-4-(2-methylpropyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-4-(2-methylpropyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazole-5-carboxamide
PubChem CID119037284
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name2-methyl-4-(2-methylpropyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(C)C)c(C(=O)NCC(C)c2nncn2C)s1
InChIInChI=1S/C15H23N5OS/c1-9(2)6-12-13(22-11(4)18-12)15(21)16-7-10(3)14-19-17-8-20(14)5/h8-10H,6-7H2,1-5H3,(H,16,21)
InChIKeyNOBHEHNASNDSMZ-UHFFFAOYSA-N
XLogP2.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-methylpropyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 119630789
4-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]benzamide
CID 119037288
N-(2-amino-2-ethylbutyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119644030
1-[[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544503
3-[2-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]ethyl]benzoic acid
CID 120535501
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)propyl]cyclopropane-1-carboxamide
CID 100616125
2-[2-(4-methyl-1,2,4-triazol-3-yl)propylamino]-1,3-oxazole-4-carboxylic acid
CID 167888031
2-methyl-2-[4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid
CID 120696748
N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 110003363
N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 109400415
2-methyl-2-[4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]phenyl]propanoic acid
CID 120528726
N-(6-amino-3-pyridinyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119516597

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylpropyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-4-(2-methylpropyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazole-5-carboxamide (CID 119037284) is 2-methyl-4-(2-methylpropyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-4-(2-methylpropyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-4-(2-methylpropyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazole-5-carboxamide is Cc1nc(CC(C)C)c(C(=O)NCC(C)c2nncn2C)s1.
What is the InChIKey of 2-methyl-4-(2-methylpropyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is NOBHEHNASNDSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-9(2)6-12-13(22-11(4)18-12)15(21)16-7-10(3)14-19-17-8-20(14)5/h8-10H,6-7H2,1-5H3,(H,16,21).
What are the key properties of 2-methyl-4-(2-methylpropyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazole-5-carboxamide?
2-methyl-4-(2-methylpropyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylpropyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119037284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).