4-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiadiazole-5-carboxamide

C15H16N6OS — CID 91783113

IUPAC4-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NCc1ccccc1-n1cncn1
InChIInChI=1S/C15H16N6OS/c1-10(2)13-14(23-20-19-13)15(22)17-7-11-5-3-4-6-12(11)21-9-16-8-18-21/h3-6,8-10H,7H2,1-2H3,(H,17,22)
InChIKeyJNHJWNRXXFZQJI-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.17
Rot. Bonds5

About 4-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiadiazole-5-carboxamide

4-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiadiazole-5-carboxamide (PubChem CID 91783113) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 4-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiadiazole-5-carboxamide
PubChem CID91783113
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name4-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NCc1ccccc1-n1cncn1
InChIInChI=1S/C15H16N6OS/c1-10(2)13-14(23-20-19-13)15(22)17-7-11-5-3-4-6-12(11)21-9-16-8-18-21/h3-6,8-10H,7H2,1-2H3,(H,17,22)
InChIKeyJNHJWNRXXFZQJI-UHFFFAOYSA-N
XLogP2.17
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-propyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
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(2R)-2-naphthalen-2-yloxy-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
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2-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide
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N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine
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CID 63069997
N'-cyclopentyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]butanediamide
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N-[[2-fluoro-4-[(prop-2-enoylamino)methyl]phenyl]methyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 154875315
1-piperidin-1-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 91774810
N-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204185
N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51092191
N-[[4-[[(2-chloroacetyl)amino]methyl]-2-fluorophenyl]methyl]-4-propan-2-ylthiadiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiadiazole-5-carboxamide (CID 91783113) is 4-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)NCc1ccccc1-n1cncn1.
What is the InChIKey of 4-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiadiazole-5-carboxamide?
The InChIKey is JNHJWNRXXFZQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-10(2)13-14(23-20-19-13)15(22)17-7-11-5-3-4-6-12(11)21-9-16-8-18-21/h3-6,8-10H,7H2,1-2H3,(H,17,22).
What are the key properties of 4-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiadiazole-5-carboxamide?
4-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiadiazole-5-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 91783113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).