N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide

C18H22N4O2S — CID 3219269

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2csnn2)cc1C
InChIInChI=1S/C18H22N4O2S/c1-12-7-8-15(9-13(12)2)22(18(24)16-11-25-21-20-16)10-17(23)19-14-5-3-4-6-14/h7-9,11,14H,3-6,10H2,1-2H3,(H,19,23)
InChIKeyOCGSODCVVNJRLL-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.86
Rot. Bonds5

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide (PubChem CID 3219269) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
PubChem CID3219269
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2csnn2)cc1C
InChIInChI=1S/C18H22N4O2S/c1-12-7-8-15(9-13(12)2)22(18(24)16-11-25-21-20-16)10-17(23)19-14-5-3-4-6-14/h7-9,11,14H,3-6,10H2,1-2H3,(H,19,23)
InChIKeyOCGSODCVVNJRLL-UHFFFAOYSA-N
XLogP2.86
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219279
N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 24761911
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 1467648
2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide
CID 113168245
N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219271
N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 25410502
2-(N-acetyl-3,4-dimethylanilino)-N-cyclopropylacetamide
CID 113168237
N-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 1467732
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 3805319
N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide
CID 1467660
2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide
CID 113172228
N-[(4-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 1467680

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide (CID 3219269) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide is Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2csnn2)cc1C.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide?
The InChIKey is OCGSODCVVNJRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-12-7-8-15(9-13(12)2)22(18(24)16-11-25-21-20-16)10-17(23)19-14-5-3-4-6-14/h7-9,11,14H,3-6,10H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3219269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).