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

C12H11N3OS — CID 588107

IUPAC2-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nncs1)C1CC1c1ccccc1
InChIInChI=1S/C12H11N3OS/c16-11(14-12-15-13-7-17-12)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H,14,15,16)
InChIKeyWXAMAHSYLBWLBH-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.28
Rot. Bonds3

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

2-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 588107) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID588107
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name2-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nncs1)C1CC1c1ccccc1
InChIInChI=1S/C12H11N3OS/c16-11(14-12-15-13-7-17-12)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H,14,15,16)
InChIKeyWXAMAHSYLBWLBH-UHFFFAOYSA-N
XLogP2.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-(4-propan-2-ylphenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 898906
2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 821620
1-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 976753
3-Phenyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid
CID 647148
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 839901
3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 871225
4-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 1086939
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-phenylcyclopropanecarboxamide
CID 2862715
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide
CID 2914824
N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
CID 1871088
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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide (CID 588107) is 2-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide is O=C(Nc1nncs1)C1CC1c1ccccc1.
What is the InChIKey of 2-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is WXAMAHSYLBWLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c16-11(14-12-15-13-7-17-12)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H,14,15,16).
What are the key properties of 2-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
2-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 245.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 588107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).