N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

C12H10ClN3OS — CID 1451488

IUPACN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nnc(-c2ccccc2Cl)s1)C1CC1
InChIInChI=1S/C12H10ClN3OS/c13-9-4-2-1-3-8(9)11-15-16-12(18-11)14-10(17)7-5-6-7/h1-4,7H,5-6H2,(H,14,16,17)
InChIKeyUVQFBLQSWYZHOJ-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.21
Rot. Bonds3

About N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (PubChem CID 1451488) has the molecular formula C12H10ClN3OS and a molecular weight of 279.75 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
PubChem CID1451488
Molecular FormulaC12H10ClN3OS
Molecular Weight279.75 g/mol
Exact Mass279.02
IUPAC NameN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nnc(-c2ccccc2Cl)s1)C1CC1
InChIInChI=1S/C12H10ClN3OS/c13-9-4-2-1-3-8(9)11-15-16-12(18-11)14-10(17)7-5-6-7/h1-4,7H,5-6H2,(H,14,16,17)
InChIKeyUVQFBLQSWYZHOJ-UHFFFAOYSA-N
XLogP3.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (CID 1451488) is N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is O=C(Nc1nnc(-c2ccccc2Cl)s1)C1CC1.
What is the InChIKey of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is UVQFBLQSWYZHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3OS/c13-9-4-2-1-3-8(9)11-15-16-12(18-11)14-10(17)7-5-6-7/h1-4,7H,5-6H2,(H,14,16,17).
What are the key properties of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 279.75 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 1451488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).