1-[(5-chlorothiadiazol-4-yl)methylamino]-N-(2-methylpropyl)cyclopentane-1-carboxamide

C13H21ClN4OS — CID 71857526

IUPAC1-[(5-chlorothiadiazol-4-yl)methylamino]-N-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CNC(=O)C1(NCc2nnsc2Cl)CCCC1
InChIInChI=1S/C13H21ClN4OS/c1-9(2)7-15-12(19)13(5-3-4-6-13)16-8-10-11(14)20-18-17-10/h9,16H,3-8H2,1-2H3,(H,15,19)
InChIKeyPRFLBAQAZVWJSL-UHFFFAOYSA-N
MW316.86 g/mol
LogP2.37
Rot. Bonds6

About 1-[(5-chlorothiadiazol-4-yl)methylamino]-N-(2-methylpropyl)cyclopentane-1-carboxamide

1-[(5-chlorothiadiazol-4-yl)methylamino]-N-(2-methylpropyl)cyclopentane-1-carboxamide (PubChem CID 71857526) has the molecular formula C13H21ClN4OS and a molecular weight of 316.86 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methylamino]-N-(2-methylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methylamino]-N-(2-methylpropyl)cyclopentane-1-carboxamide
PubChem CID71857526
Molecular FormulaC13H21ClN4OS
Molecular Weight316.86 g/mol
Exact Mass316.11
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methylamino]-N-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CNC(=O)C1(NCc2nnsc2Cl)CCCC1
InChIInChI=1S/C13H21ClN4OS/c1-9(2)7-15-12(19)13(5-3-4-6-13)16-8-10-11(14)20-18-17-10/h9,16H,3-8H2,1-2H3,(H,15,19)
InChIKeyPRFLBAQAZVWJSL-UHFFFAOYSA-N
XLogP2.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.86
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-Chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17483138
N-butyl-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-4-carboxamide
CID 37209920
1-[(5-chlorothiadiazol-4-yl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985345
1-[(5-Chlorothiadiazol-4-yl)methyl]-5-ethylazepan-2-one
CID 64343540
1-[4-[(5-Chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-2-cyclopentylethanone
CID 71898340
N-(cyclopropylmethyl)-1-(thiadiazol-4-ylmethylamino)cyclopentane-1-carboxamide
CID 86802133
1-[(5-Chlorothiadiazol-4-yl)methyl]-4-propylpyrrolidin-2-one
CID 115773426
1-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 133997191

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methylamino]-N-(2-methylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methylamino]-N-(2-methylpropyl)cyclopentane-1-carboxamide (CID 71857526) is 1-[(5-chlorothiadiazol-4-yl)methylamino]-N-(2-methylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methylamino]-N-(2-methylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methylamino]-N-(2-methylpropyl)cyclopentane-1-carboxamide is CC(C)CNC(=O)C1(NCc2nnsc2Cl)CCCC1.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methylamino]-N-(2-methylpropyl)cyclopentane-1-carboxamide?
The InChIKey is PRFLBAQAZVWJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4OS/c1-9(2)7-15-12(19)13(5-3-4-6-13)16-8-10-11(14)20-18-17-10/h9,16H,3-8H2,1-2H3,(H,15,19).
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methylamino]-N-(2-methylpropyl)cyclopentane-1-carboxamide?
1-[(5-chlorothiadiazol-4-yl)methylamino]-N-(2-methylpropyl)cyclopentane-1-carboxamide has a molecular weight of 316.86 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiadiazol-4-yl)methylamino]-N-(2-methylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 71857526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).