N-[2-(aminomethyl)cyclohexyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C19H25N3O2S — CID 119611426

IUPACN-[2-(aminomethyl)cyclohexyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1nc(COc2cccc(C(=O)NC3CCCCC3CN)c2)cs1
InChIInChI=1S/C19H25N3O2S/c1-13-21-16(12-25-13)11-24-17-7-4-6-14(9-17)19(23)22-18-8-3-2-5-15(18)10-20/h4,6-7,9,12,15,18H,2-3,5,8,10-11,20H2,1H3,(H,22,23)
InChIKeyBJNNLVCZAXCJOL-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.28
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-[2-(aminomethyl)cyclohexyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 119611426) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
PubChem CID119611426
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1nc(COc2cccc(C(=O)NC3CCCCC3CN)c2)cs1
InChIInChI=1S/C19H25N3O2S/c1-13-21-16(12-25-13)11-24-17-7-4-6-14(9-17)19(23)22-18-8-3-2-5-15(18)10-20/h4,6-7,9,12,15,18H,2-3,5,8,10-11,20H2,1H3,(H,22,23)
InChIKeyBJNNLVCZAXCJOL-UHFFFAOYSA-N
XLogP3.28
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(aminomethyl)cyclohexyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide with MolForge

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Related Compounds

3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 55533835
N-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119477541
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide
CID 119609171
N-(1-acetylpiperidin-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46657248
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119458129
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 55517576
N-[3-(aminomethyl)pentan-3-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119570933
N-[2-(aminomethyl)cyclopentyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 119603057
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 55451657
N-[(1R,2S)-2-methylcyclohexyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9273087
N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride
CID 119611218
N-[3-(2-methylpiperidin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 51266645

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 119611426) is N-[2-(aminomethyl)cyclohexyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is Cc1nc(COc2cccc(C(=O)NC3CCCCC3CN)c2)cs1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The InChIKey is BJNNLVCZAXCJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-13-21-16(12-25-13)11-24-17-7-4-6-14(9-17)19(23)22-18-8-3-2-5-15(18)10-20/h4,6-7,9,12,15,18H,2-3,5,8,10-11,20H2,1H3,(H,22,23).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
N-[2-(aminomethyl)cyclohexyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 359.50 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 119611426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).