N-(2-amino-1-cyclohexylethyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride

C19H27Cl2N3OS — CID 119591379

IUPACN-(2-amino-1-cyclohexylethyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
SMILESCc1nc(-c2cccc(C(=O)NC(CN)C3CCCCC3)c2)cs1.Cl.Cl
InChIInChI=1S/C19H25N3OS.2ClH/c1-13-21-18(12-24-13)15-8-5-9-16(10-15)19(23)22-17(11-20)14-6-3-2-4-7-14;;/h5,8-10,12,14,17H,2-4,6-7,11,20H2,1H3,(H,22,23);2*1H
InChIKeyINNIYVMRYWKMKD-UHFFFAOYSA-N
MW416.42 g/mol
LogP4.60
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride

N-(2-amino-1-cyclohexylethyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride (PubChem CID 119591379) has the molecular formula C19H27Cl2N3OS and a molecular weight of 416.42 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
PubChem CID119591379
Molecular FormulaC19H27Cl2N3OS
Molecular Weight416.42 g/mol
Exact Mass415.13
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
SMILESCc1nc(-c2cccc(C(=O)NC(CN)C3CCCCC3)c2)cs1.Cl.Cl
InChIInChI=1S/C19H25N3OS.2ClH/c1-13-21-18(12-24-13)15-8-5-9-16(10-15)19(23)22-17(11-20)14-6-3-2-4-7-14;;/h5,8-10,12,14,17H,2-4,6-7,11,20H2,1H3,(H,22,23);2*1H
InChIKeyINNIYVMRYWKMKD-UHFFFAOYSA-N
XLogP4.60
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
CID 122153095
N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
CID 119591989
N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide
CID 115309240
N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 70899033
N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119591586
N-(2-amino-1-cyclohexylethyl)-5-phenylpyridine-3-carboxamide
CID 119590618
N-[(2-hydroxycyclopentyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 111471390
N-(2-amino-1-cyclopentylethyl)-3-propoxybenzamide
CID 106737605
N-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide
CID 119589426
N-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 120652084
N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
CID 119591970
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride (CID 119591379) is N-(2-amino-1-cyclohexylethyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride is Cc1nc(-c2cccc(C(=O)NC(CN)C3CCCCC3)c2)cs1.Cl.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride?
The InChIKey is INNIYVMRYWKMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS.2ClH/c1-13-21-18(12-24-13)15-8-5-9-16(10-15)19(23)22-17(11-20)14-6-3-2-4-7-14;;/h5,8-10,12,14,17H,2-4,6-7,11,20H2,1H3,(H,22,23);2*1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride?
N-(2-amino-1-cyclohexylethyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride has a molecular weight of 416.42 g/mol, XLogP of 4.60, 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)-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride is sourced from PubChem (CID 119591379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).