N-[4-(thiadiazol-4-yl)phenyl]cyclopropanecarboxamide

C12H11N3OS — CID 2739181

IUPACN-[4-(thiadiazol-4-yl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(-c2csnn2)cc1)C1CC1
InChIInChI=1S/C12H11N3OS/c16-12(9-1-2-9)13-10-5-3-8(4-6-10)11-7-17-15-14-11/h3-7,9H,1-2H2,(H,13,16)
InChIKeyGEBZKAGTZLMKSR-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.55
Rot. Bonds3

About N-[4-(thiadiazol-4-yl)phenyl]cyclopropanecarboxamide

N-[4-(thiadiazol-4-yl)phenyl]cyclopropanecarboxamide (PubChem CID 2739181) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is N-[4-(thiadiazol-4-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(thiadiazol-4-yl)phenyl]cyclopropanecarboxamide
PubChem CID2739181
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC NameN-[4-(thiadiazol-4-yl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(-c2csnn2)cc1)C1CC1
InChIInChI=1S/C12H11N3OS/c16-12(9-1-2-9)13-10-5-3-8(4-6-10)11-7-17-15-14-11/h3-7,9H,1-2H2,(H,13,16)
InChIKeyGEBZKAGTZLMKSR-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N1-[4-(1,2,3-thiadiazol-4-yl)phenyl]-2,2,2-trichloroacetamide
CID 2739182
N1-[4-(1,2,3-thiadiazol-4-yl)phenyl]-2,2-dimethylpropanamide
CID 2739183
N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide
CID 645728
1H-Pyrrole-2,5-dione, 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]-
CID 2739294
N1-[4-(1,2,3-thiadiazol-4-yl)benzyl]cyclopropane-1-carboxamide
CID 2739263
N-[4-({Methyl[(4-methyl-1,2,3-thiadiazol-5-YL)methyl]amino}methyl)phenyl]acetamide
CID 50953439
4-methyl-N-(4-methylphenyl)-1,2,3-thiadiazole-5-carboxamide
CID 850826
5-methyl-2-[4-(thiadiazol-4-yl)phenyl]-4H-pyrazol-3-one
CID 2739253
2-[2-Oxo-2-[4-(thiadiazol-4-yl)anilino]ethyl]sulfanylacetic acid
CID 2739288
N-p-tolyl-4-ethyl-1,2,3-thiadiazole-5-carboxamide
CID 7424197
N-(3-(1,2,3-thiadiazol-4-yl)phenyl)acetamide
CID 71779167
N-[4-(thiadiazol-4-yl)phenyl]acetamide
CID 2739180

Frequently Asked Questions

What is the IUPAC name of N-[4-(thiadiazol-4-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(thiadiazol-4-yl)phenyl]cyclopropanecarboxamide (CID 2739181) is N-[4-(thiadiazol-4-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(thiadiazol-4-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(thiadiazol-4-yl)phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(-c2csnn2)cc1)C1CC1.
What is the InChIKey of N-[4-(thiadiazol-4-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is GEBZKAGTZLMKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c16-12(9-1-2-9)13-10-5-3-8(4-6-10)11-7-17-15-14-11/h3-7,9H,1-2H2,(H,13,16).
What are the key properties of N-[4-(thiadiazol-4-yl)phenyl]cyclopropanecarboxamide?
N-[4-(thiadiazol-4-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 245.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(thiadiazol-4-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 2739181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).