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

C15H24N4O2S — CID 3219343

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide
SMILESCC(C)CCN(CC(=O)NC1CCCC1)C(=O)c1csnn1
InChIInChI=1S/C15H24N4O2S/c1-11(2)7-8-19(15(21)13-10-22-18-17-13)9-14(20)16-12-5-3-4-6-12/h10-12H,3-9H2,1-2H3,(H,16,20)
InChIKeyWCRWPZRUILMRTH-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.09
Rot. Bonds7

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

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide (PubChem CID 3219343) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide
PubChem CID3219343
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide
SMILESCC(C)CCN(CC(=O)NC1CCCC1)C(=O)c1csnn1
InChIInChI=1S/C15H24N4O2S/c1-11(2)7-8-19(15(21)13-10-22-18-17-13)9-14(20)16-12-5-3-4-6-12/h10-12H,3-9H2,1-2H3,(H,16,20)
InChIKeyWCRWPZRUILMRTH-UHFFFAOYSA-N
XLogP2.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.09
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
N-butyl-2-methyl-1-(thiadiazole-4-carbonyl)piperidine-2-carboxamide
CID 46942844
N-butyl-2-methyl-1-(thiadiazole-4-carbonyl)azetidine-2-carboxamide
CID 49789179
2-methyl-N-(2-methylpropyl)-1-(thiadiazole-4-carbonyl)azepane-2-carboxamide
CID 46944068
2-methyl-N-(2-methylpropyl)-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 49791390
N-cycloheptylthiadiazole-4-carboxamide
CID 40154556
1-methyl-N-[(3S,4R)-1-(thiadiazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 154806111
N-(4-methylcyclohexyl)thiadiazole-4-carboxamide
CID 47180328
N-propan-2-ylthiadiazole-4-carboxamide
CID 57732611
N-butylthiadiazole-4-carboxamide
CID 57957601
N-(3-piperidin-1-ylpropyl)thiadiazole-4-carboxamide
CID 58945397

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide (CID 3219343) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide is CC(C)CCN(CC(=O)NC1CCCC1)C(=O)c1csnn1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide?
The InChIKey is WCRWPZRUILMRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-11(2)7-8-19(15(21)13-10-22-18-17-13)9-14(20)16-12-5-3-4-6-12/h10-12H,3-9H2,1-2H3,(H,16,20).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.09, 7 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-methylbutyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3219343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).