N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide

C16H17N5O2S — CID 167887735

IUPACN-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1scnc1C(=O)Nc1nn(C)c(=O)n1-c1ccccc1
InChIInChI=1S/C16H17N5O2S/c1-10(2)13-12(17-9-24-13)14(22)18-15-19-20(3)16(23)21(15)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,18,19,22)
InChIKeyZFUVZZCPQDGISO-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.40
Rot. Bonds4

About N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide

N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 167887735) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID167887735
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1scnc1C(=O)Nc1nn(C)c(=O)n1-c1ccccc1
InChIInChI=1S/C16H17N5O2S/c1-10(2)13-12(17-9-24-13)14(22)18-15-19-20(3)16(23)21(15)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,18,19,22)
InChIKeyZFUVZZCPQDGISO-UHFFFAOYSA-N
XLogP2.40
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

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N-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide
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5-(1-phenylethyl)-1,3-thiazole-4-carboxylic acid
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5-chloro-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 14292613
5-amino-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 79006248
methyl 1-phenyl-5-propan-2-ylimidazole-4-carboxylate
CID 11776585
4-(4-fluorophenyl)-2-methyl-5-(methylamino)-1,2,4-triazol-3-one
CID 82841703
1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)-2,4-dioxo-3-phenylpyrimidine-5-carboxamide
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N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 166326972
ethyl 2-methyl-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxylate
CID 90397805
4-hydroxy-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-phenylpyridazine-3-carboxamide
CID 134354262

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide (CID 167887735) is N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)c1scnc1C(=O)Nc1nn(C)c(=O)n1-c1ccccc1.
What is the InChIKey of N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ZFUVZZCPQDGISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-10(2)13-12(17-9-24-13)14(22)18-15-19-20(3)16(23)21(15)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,18,19,22).
What are the key properties of N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 167887735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).