N-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride

C18H25Cl2N3O2S — CID 119477541

IUPACN-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
SMILESCc1nc(COc2cccc(C(=O)NC3CCC(N)CC3)c2)cs1.Cl.Cl
InChIInChI=1S/C18H23N3O2S.2ClH/c1-12-20-16(11-24-12)10-23-17-4-2-3-13(9-17)18(22)21-15-7-5-14(19)6-8-15;;/h2-4,9,11,14-15H,5-8,10,19H2,1H3,(H,21,22);2*1H
InChIKeyGVBOEWFTLPZWGW-UHFFFAOYSA-N
MW418.39 g/mol
LogP3.87
Rot. Bonds5

About N-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride

N-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride (PubChem CID 119477541) has the molecular formula C18H25Cl2N3O2S and a molecular weight of 418.39 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
PubChem CID119477541
Molecular FormulaC18H25Cl2N3O2S
Molecular Weight418.39 g/mol
Exact Mass417.10
IUPAC NameN-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
SMILESCc1nc(COc2cccc(C(=O)NC3CCC(N)CC3)c2)cs1.Cl.Cl
InChIInChI=1S/C18H23N3O2S.2ClH/c1-12-20-16(11-24-12)10-23-17-4-2-3-13(9-17)18(22)21-15-7-5-14(19)6-8-15;;/h2-4,9,11,14-15H,5-8,10,19H2,1H3,(H,21,22);2*1H
InChIKeyGVBOEWFTLPZWGW-UHFFFAOYSA-N
XLogP3.87
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-acetylpiperidin-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46657248
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CID 119458129
N-(4-aminocyclohexyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 119478873
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 55517576
N-[2-(aminomethyl)cyclohexyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 119611426
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 55533835
N-[3-(aminomethyl)pentan-3-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119570933
N-cyclopropyl-3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 35558311
[(3S)-3-aminopiperidin-1-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 124628209
3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid
CID 119221411
N-[2-(4-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 34803674
N-(2-fluorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride (CID 119477541) is N-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride is Cc1nc(COc2cccc(C(=O)NC3CCC(N)CC3)c2)cs1.Cl.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride?
The InChIKey is GVBOEWFTLPZWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S.2ClH/c1-12-20-16(11-24-12)10-23-17-4-2-3-13(9-17)18(22)21-15-7-5-14(19)6-8-15;;/h2-4,9,11,14-15H,5-8,10,19H2,1H3,(H,21,22);2*1H.
What are the key properties of N-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride?
N-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride has a molecular weight of 418.39 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride is sourced from PubChem (CID 119477541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).