1-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide

C14H15N3OS — CID 976753

IUPAC1-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
SMILESO=C(Nc1nncs1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C14H15N3OS/c18-12(16-13-17-15-10-19-13)14(8-4-5-9-14)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,16,17,18)
InChIKeyZSOIPJBIHHVOGS-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.99
Rot. Bonds3

About 1-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide

1-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide (PubChem CID 976753) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
PubChem CID976753
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
SMILESO=C(Nc1nncs1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C14H15N3OS/c18-12(16-13-17-15-10-19-13)14(8-4-5-9-14)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,16,17,18)
InChIKeyZSOIPJBIHHVOGS-UHFFFAOYSA-N
XLogP2.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3,4-Thiadiazol-2-yl)benzamide
CID 569548
2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 821620
3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 871225
4-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 1086939
3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 3155175
2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 647921
N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 834017
N-{[(2-methyl-2H-tetrazol-5-yl)amino]carbonothioyl}-2-phenylacetamide
CID 953410
2-Methyl-N-[1,3,4]thiadiazol-2-yl-benzamide
CID 1147600
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 836233
2-(4-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 1086969
(S)-2-(4-chlorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 29369661

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide (CID 976753) is 1-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide is O=C(Nc1nncs1)C1(c2ccccc2)CCCC1.
What is the InChIKey of 1-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide?
The InChIKey is ZSOIPJBIHHVOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-12(16-13-17-15-10-19-13)14(8-4-5-9-14)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,16,17,18).
What are the key properties of 1-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide?
1-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 976753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).