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

C15H16ClN3OS — CID 32624049

IUPAC1-(4-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)c1nnc(NC(=O)C2(c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C15H16ClN3OS/c1-9(2)12-18-19-14(21-12)17-13(20)15(7-8-15)10-3-5-11(16)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,17,19,20)
InChIKeySBFXLCSQHHLSIU-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.99
Rot. Bonds4

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

1-(4-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 32624049) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID32624049
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name1-(4-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)c1nnc(NC(=O)C2(c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C15H16ClN3OS/c1-9(2)12-18-19-14(21-12)17-13(20)15(7-8-15)10-3-5-11(16)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,17,19,20)
InChIKeySBFXLCSQHHLSIU-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-(2-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 110439821
1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
CID 27742660
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 29456239
1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 2521715
1-(2,4-dichlorophenyl)-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 881026
(2R)-N-[5-[(1S)-1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide
CID 51592506
1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 26357521
1-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 155946731
1-(4-chlorophenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopentane-1-carboxamide
CID 90532772
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627014
N-(4-chloro-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 7914599
1-phenyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 100590163

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide (CID 32624049) is 1-(4-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide is CC(C)c1nnc(NC(=O)C2(c3ccc(Cl)cc3)CC2)s1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is SBFXLCSQHHLSIU-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)10-3-5-11(16)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,17,19,20).
What are the key properties of 1-(4-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
1-(4-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-(4-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 32624049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).