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

C14H18N4OS — CID 80617189

IUPAC5-(methylamino)-N-(4-phenylbutan-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NC(C)CCc2ccccc2)s1
InChIInChI=1S/C14H18N4OS/c1-10(8-9-11-6-4-3-5-7-11)16-12(19)13-17-18-14(15-2)20-13/h3-7,10H,8-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyQGDMVXPYNHNUGA-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.33
Rot. Bonds6

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

5-(methylamino)-N-(4-phenylbutan-2-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617189) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-(methylamino)-N-(4-phenylbutan-2-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(4-phenylbutan-2-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617189
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name5-(methylamino)-N-(4-phenylbutan-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NC(C)CCc2ccccc2)s1
InChIInChI=1S/C14H18N4OS/c1-10(8-9-11-6-4-3-5-7-11)16-12(19)13-17-18-14(15-2)20-13/h3-7,10H,8-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyQGDMVXPYNHNUGA-UHFFFAOYSA-N
XLogP2.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide
CID 71807160
5-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617192
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
5-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617293
5-(methylamino)-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide
CID 107375133
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
5-(2-methylpropyl)-N-[3-(4-phenylbutan-2-ylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330011
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 143330073
4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 26013431
5-(methylamino)-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80619012
5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618607
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(4-phenylbutan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-(4-phenylbutan-2-yl)-1,3,4-thiadiazole-2-carboxamide (CID 80617189) is 5-(methylamino)-N-(4-phenylbutan-2-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(4-phenylbutan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(4-phenylbutan-2-yl)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NC(C)CCc2ccccc2)s1.
What is the InChIKey of 5-(methylamino)-N-(4-phenylbutan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is QGDMVXPYNHNUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10(8-9-11-6-4-3-5-7-11)16-12(19)13-17-18-14(15-2)20-13/h3-7,10H,8-9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 5-(methylamino)-N-(4-phenylbutan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
5-(methylamino)-N-(4-phenylbutan-2-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(4-phenylbutan-2-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).