5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride

C15H21ClF2N2OS — CID 118432737

IUPAC5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride
SMILESCc1sc(C2CC2N)cc1C(=O)NC1CCC(F)(F)CC1.Cl
InChIInChI=1S/C15H20F2N2OS.ClH/c1-8-10(7-13(21-8)11-6-12(11)18)14(20)19-9-2-4-15(16,17)5-3-9;/h7,9,11-12H,2-6,18H2,1H3,(H,19,20);1H
InChIKeyZZOKDHTYOQJKKL-UHFFFAOYSA-N
MW350.86 g/mol
LogP3.60
Rot. Bonds3

About 5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride

5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride (PubChem CID 118432737) has the molecular formula C15H21ClF2N2OS and a molecular weight of 350.86 g/mol. Its IUPAC name is 5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride
PubChem CID118432737
Molecular FormulaC15H21ClF2N2OS
Molecular Weight350.86 g/mol
Exact Mass350.10
IUPAC Name5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride
SMILESCc1sc(C2CC2N)cc1C(=O)NC1CCC(F)(F)CC1.Cl
InChIInChI=1S/C15H20F2N2OS.ClH/c1-8-10(7-13(21-8)11-6-12(11)18)14(20)19-9-2-4-15(16,17)5-3-9;/h7,9,11-12H,2-6,18H2,1H3,(H,19,20);1H
InChIKeyZZOKDHTYOQJKKL-UHFFFAOYSA-N
XLogP3.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.86
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride
CID 118433325
3-[(1S,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide
CID 142797628
5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methyl-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride
CID 118433146
3-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147878
4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide
CID 118432877
3-(2-aminocyclopropyl)-N-(4-fluoro-4-methylcyclohexyl)benzamide
CID 139384305
N-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide
CID 119104693
4-[(1S,2R)-2-aminocyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide
CID 118432628
5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide
CID 118432734
N-(4,4-difluorocyclohexyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 154834919
5-(2-aminocyclopropyl)-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride
CID 118432944
5,6-diamino-N-(4,4-difluorocyclohexyl)-2-[ethyl(methyl)amino]pyridine-3-carboxamide
CID 71099574

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride?
The IUPAC name of 5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride (CID 118432737) is 5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride?
The canonical SMILES for 5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride is Cc1sc(C2CC2N)cc1C(=O)NC1CCC(F)(F)CC1.Cl.
What is the InChIKey of 5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride?
The InChIKey is ZZOKDHTYOQJKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2OS.ClH/c1-8-10(7-13(21-8)11-6-12(11)18)14(20)19-9-2-4-15(16,17)5-3-9;/h7,9,11-12H,2-6,18H2,1H3,(H,19,20);1H.
What are the key properties of 5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride?
5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride has a molecular weight of 350.86 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 118432737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).