N-(5-chloro-2-methylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide

C17H19ClN4O2S — CID 3222122

IUPACN-(5-chloro-2-methylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
SMILESCc1ccc(Cl)cc1N(CC(=O)NC1CCCC1)C(=O)c1csnn1
InChIInChI=1S/C17H19ClN4O2S/c1-11-6-7-12(18)8-15(11)22(17(24)14-10-25-21-20-14)9-16(23)19-13-4-2-3-5-13/h6-8,10,13H,2-5,9H2,1H3,(H,19,23)
InChIKeyLQACIOGHLGGUDH-UHFFFAOYSA-N
MW378.89 g/mol
LogP3.21
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide

N-(5-chloro-2-methylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide (PubChem CID 3222122) has the molecular formula C17H19ClN4O2S and a molecular weight of 378.89 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
PubChem CID3222122
Molecular FormulaC17H19ClN4O2S
Molecular Weight378.89 g/mol
Exact Mass378.09
IUPAC NameN-(5-chloro-2-methylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
SMILESCc1ccc(Cl)cc1N(CC(=O)NC1CCCC1)C(=O)c1csnn1
InChIInChI=1S/C17H19ClN4O2S/c1-11-6-7-12(18)8-15(11)22(17(24)14-10-25-21-20-14)9-16(23)19-13-4-2-3-5-13/h6-8,10,13H,2-5,9H2,1H3,(H,19,23)
InChIKeyLQACIOGHLGGUDH-UHFFFAOYSA-N
XLogP3.21
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.89
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide (CID 3222122) is N-(5-chloro-2-methylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide is Cc1ccc(Cl)cc1N(CC(=O)NC1CCCC1)C(=O)c1csnn1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
The InChIKey is LQACIOGHLGGUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2S/c1-11-6-7-12(18)8-15(11)22(17(24)14-10-25-21-20-14)9-16(23)19-13-4-2-3-5-13/h6-8,10,13H,2-5,9H2,1H3,(H,19,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
N-(5-chloro-2-methylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide has a molecular weight of 378.89 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 3222122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).