N-[2-(cyclopentylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide

C13H18N4O2S — CID 4295228

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)C1CC1)NC1CCCC1
InChIInChI=1S/C13H18N4O2S/c18-12(14-9-3-1-2-4-9)7-17(10-5-6-10)13(19)11-8-20-16-15-11/h8-10H,1-7H2,(H,14,18)
InChIKeyNCSXZGLQEHPJID-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.20
Rot. Bonds5

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide (PubChem CID 4295228) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
PubChem CID4295228
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)C1CC1)NC1CCCC1
InChIInChI=1S/C13H18N4O2S/c18-12(14-9-3-1-2-4-9)7-17(10-5-6-10)13(19)11-8-20-16-15-11/h8-10H,1-7H2,(H,14,18)
InChIKeyNCSXZGLQEHPJID-UHFFFAOYSA-N
XLogP1.20
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexylthiadiazole-4-carboxamide
CID 274293
[1,2,3]Thiadiazole-4-carboxylic acid cyclohexylcarbamoylmethyl-(2-methoxy-ethyl)-amide
CID 3219444
2-methyl-N-(2-methylpropyl)-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 49791390
N-cycloheptylthiadiazole-4-carboxamide
CID 40154556
N-[(1R,2R)-2-fluorocyclohexyl]thiadiazole-4-carboxamide
CID 126793972
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiadiazole-4-carboxamide
CID 154739331
1,2,3-Thiadiazole-4-carboxamide,n-[2-(cyclopentylamino)-2-oxoethyl]-n-(3-methylbutyl)-
CID 3219343
N-propan-2-ylthiadiazole-4-carboxamide
CID 57732611
N-butylthiadiazole-4-carboxamide
CID 57957601
N-(3-piperidin-1-ylpropyl)thiadiazole-4-carboxamide
CID 58945397
N-butylthiadiazole-4-carboxamide;propane
CID 161836508
N-octadecylthiadiazole-4-carboxamide
CID 174674510

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide (CID 4295228) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide is O=C(CN(C(=O)c1csnn1)C1CC1)NC1CCCC1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The InChIKey is NCSXZGLQEHPJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c18-12(14-9-3-1-2-4-9)7-17(10-5-6-10)13(19)11-8-20-16-15-11/h8-10H,1-7H2,(H,14,18).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.20, 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-cyclopropylthiadiazole-4-carboxamide is sourced from PubChem (CID 4295228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).