1-(2-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide

C15H16ClN3OS — CID 110439821

IUPAC1-(2-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)c1nnc(NC(=O)C2(c3ccccc3Cl)CC2)s1
InChIInChI=1S/C15H16ClN3OS/c1-9(2)12-18-19-14(21-12)17-13(20)15(7-8-15)10-5-3-4-6-11(10)16/h3-6,9H,7-8H2,1-2H3,(H,17,19,20)
InChIKeyMQXJDRAYOAFKMG-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.99
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide

1-(2-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 110439821) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID110439821
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name1-(2-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)c1nnc(NC(=O)C2(c3ccccc3Cl)CC2)s1
InChIInChI=1S/C15H16ClN3OS/c1-9(2)12-18-19-14(21-12)17-13(20)15(7-8-15)10-5-3-4-6-11(10)16/h3-6,9H,7-8H2,1-2H3,(H,17,19,20)
InChIKeyMQXJDRAYOAFKMG-UHFFFAOYSA-N
XLogP3.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 32624049
1-(2-chlorophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 110439820
2-(2,6-dichlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 18093734
1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 110438440
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
CID 82176351
1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide
CID 110439782
N-(3-acetylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 110439373
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 29456239
1-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 155946731
1-phenyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 100590163
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 32620190
1-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 110439401

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide (CID 110439821) is 1-(2-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide is CC(C)c1nnc(NC(=O)C2(c3ccccc3Cl)CC2)s1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is MQXJDRAYOAFKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-9(2)12-18-19-14(21-12)17-13(20)15(7-8-15)10-5-3-4-6-11(10)16/h3-6,9H,7-8H2,1-2H3,(H,17,19,20).
What are the key properties of 1-(2-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
1-(2-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 321.83 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110439821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).