3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide

C14H17N3OS — CID 71807160

IUPAC3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NC(C)CCc2ccccc2)n1
InChIInChI=1S/C14H17N3OS/c1-10(8-9-12-6-4-3-5-7-12)15-13(18)14-16-11(2)17-19-14/h3-7,10H,8-9H2,1-2H3,(H,15,18)
InChIKeyKZVFRLJXFAJEMT-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.60
Rot. Bonds5

About 3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide

3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide (PubChem CID 71807160) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide
PubChem CID71807160
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NC(C)CCc2ccccc2)n1
InChIInChI=1S/C14H17N3OS/c1-10(8-9-12-6-4-3-5-7-12)15-13(18)14-16-11(2)17-19-14/h3-7,10H,8-9H2,1-2H3,(H,15,18)
InChIKeyKZVFRLJXFAJEMT-UHFFFAOYSA-N
XLogP2.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide
CID 71807159
5-(methylamino)-N-(4-phenylbutan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617189
2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
CID 7032720
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenylbutanamide
CID 114929424
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 62186305
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
N-(4-phenylbutan-2-yl)thiophene-3-carboxamide
CID 78803823
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 17218078

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide (CID 71807160) is 3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide is Cc1nsc(C(=O)NC(C)CCc2ccccc2)n1.
What is the InChIKey of 3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is KZVFRLJXFAJEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10(8-9-12-6-4-3-5-7-12)15-13(18)14-16-11(2)17-19-14/h3-7,10H,8-9H2,1-2H3,(H,15,18).
What are the key properties of 3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide?
3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 71807160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).