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

C17H19N5OS — CID 136526414

IUPAC2-(2-methylpropyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1nc(C(=O)NCc2cccc(-n3cncn3)c2)cs1
InChIInChI=1S/C17H19N5OS/c1-12(2)6-16-21-15(9-24-16)17(23)19-8-13-4-3-5-14(7-13)22-11-18-10-20-22/h3-5,7,9-12H,6,8H2,1-2H3,(H,19,23)
InChIKeyZSIGWRTVMSNQRA-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.85
Rot. Bonds6

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

2-(2-methylpropyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 136526414) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-(2-methylpropyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID136526414
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name2-(2-methylpropyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1nc(C(=O)NCc2cccc(-n3cncn3)c2)cs1
InChIInChI=1S/C17H19N5OS/c1-12(2)6-16-21-15(9-24-16)17(23)19-8-13-4-3-5-14(7-13)22-11-18-10-20-22/h3-5,7,9-12H,6,8H2,1-2H3,(H,19,23)
InChIKeyZSIGWRTVMSNQRA-UHFFFAOYSA-N
XLogP2.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-methylpropyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

(2S)-2-(azepan-1-yl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
CID 124606786
1-amino-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119781695
2-propyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 72882431
2-(6-methyl-3-pyridinyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 167895237
N-[3-(ethylaminomethyl)phenyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119438459
2-(2-aminoethyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618402
2-(aminomethyl)-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66378027
2-(aminomethyl)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 119745463
2-(1-aminoethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 107218444
2-(aminomethyl)-N-[[3-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 119847461
3-[[[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]methyl]benzoic acid
CID 146087508
(2S)-2-[[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoic acid
CID 119366724

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-methylpropyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 136526414) is 2-(2-methylpropyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-methylpropyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-methylpropyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide is CC(C)Cc1nc(C(=O)NCc2cccc(-n3cncn3)c2)cs1.
What is the InChIKey of 2-(2-methylpropyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZSIGWRTVMSNQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-12(2)6-16-21-15(9-24-16)17(23)19-8-13-4-3-5-14(7-13)22-11-18-10-20-22/h3-5,7,9-12H,6,8H2,1-2H3,(H,19,23).
What are the key properties of 2-(2-methylpropyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
2-(2-methylpropyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 136526414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).