N-(2-amino-1-cyclohexylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide

C15H25N3OS — CID 119590933

IUPACN-(2-amino-1-cyclohexylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)NC(CN)C2CCCCC2)cs1
InChIInChI=1S/C15H25N3OS/c1-10(2)15-18-13(9-20-15)14(19)17-12(8-16)11-6-4-3-5-7-11/h9-12H,3-8,16H2,1-2H3,(H,17,19)
InChIKeyMZMVZEAEYZMXRD-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.90
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide

N-(2-amino-1-cyclohexylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 119590933) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID119590933
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)NC(CN)C2CCCCC2)cs1
InChIInChI=1S/C15H25N3OS/c1-10(2)15-18-13(9-20-15)14(19)17-12(8-16)11-6-4-3-5-7-11/h9-12H,3-8,16H2,1-2H3,(H,17,19)
InChIKeyMZMVZEAEYZMXRD-UHFFFAOYSA-N
XLogP2.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
CID 122080623
2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide
CID 66379851
2-(1-amino-3-methylbutyl)-N-cycloheptyl-1,3-thiazole-4-carboxamide
CID 3849663
N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 119616438
2-(1-amino-3-methylsulfanylpropyl)-N-(1-cyclohexylethyl)-1,3-thiazole-4-carboxamide
CID 3861951
N-(4-aminocyclohexyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119477267
N-(2-amino-1-cyclopropylethyl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 119617053
N-(2-amino-1-cyclohexylethyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119591594
N-(2-amino-1-cyclohexylethyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 119591379
N-(2-amino-1-cyclopropylethyl)-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119613700
N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119590474
N-(2-amino-1-cyclopropylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 119613012

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide (CID 119590933) is N-(2-amino-1-cyclohexylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)c1nc(C(=O)NC(CN)C2CCCCC2)cs1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is MZMVZEAEYZMXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-10(2)15-18-13(9-20-15)14(19)17-12(8-16)11-6-4-3-5-7-11/h9-12H,3-8,16H2,1-2H3,(H,17,19).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide?
N-(2-amino-1-cyclohexylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 295.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119590933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).