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

C17H20N4O2S — CID 3219191

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1csnn1
InChIInChI=1S/C17H20N4O2S/c1-12-6-2-5-9-15(12)21(17(23)14-11-24-20-19-14)10-16(22)18-13-7-3-4-8-13/h2,5-6,9,11,13H,3-4,7-8,10H2,1H3,(H,18,22)
InChIKeyQKVQIEFCCRUHBA-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.55
Rot. Bonds5

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

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide (PubChem CID 3219191) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
PubChem CID3219191
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1csnn1
InChIInChI=1S/C17H20N4O2S/c1-12-6-2-5-9-15(12)21(17(23)14-11-24-20-19-14)10-16(22)18-13-7-3-4-8-13/h2,5-6,9,11,13H,3-4,7-8,10H2,1H3,(H,18,22)
InChIKeyQKVQIEFCCRUHBA-UHFFFAOYSA-N
XLogP2.55
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide (CID 3219191) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide is Cc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1csnn1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide?
The InChIKey is QKVQIEFCCRUHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12-6-2-5-9-15(12)21(17(23)14-11-24-20-19-14)10-16(22)18-13-7-3-4-8-13/h2,5-6,9,11,13H,3-4,7-8,10H2,1H3,(H,18,22).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.55, 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-(2-methylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3219191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).