4-amino-5-chloro-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-methoxybenzamide

C19H24ClN3O2S — CID 119886652

IUPAC4-amino-5-chloro-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCCc1nc(C2CCCCC2)cs1
InChIInChI=1S/C19H24ClN3O2S/c1-25-17-10-15(21)14(20)9-13(17)19(24)22-8-7-18-23-16(11-26-18)12-5-3-2-4-6-12/h9-12H,2-8,21H2,1H3,(H,22,24)
InChIKeyZBEGPRFYJRMZLL-UHFFFAOYSA-N
MW393.94 g/mol
LogP4.41
Rot. Bonds6

About 4-amino-5-chloro-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-methoxybenzamide

4-amino-5-chloro-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-methoxybenzamide (PubChem CID 119886652) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-methoxybenzamide
PubChem CID119886652
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name4-amino-5-chloro-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCCc1nc(C2CCCCC2)cs1
InChIInChI=1S/C19H24ClN3O2S/c1-25-17-10-15(21)14(20)9-13(17)19(24)22-8-7-18-23-16(11-26-18)12-5-3-2-4-6-12/h9-12H,2-8,21H2,1H3,(H,22,24)
InChIKeyZBEGPRFYJRMZLL-UHFFFAOYSA-N
XLogP4.41
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]benzamide;dihydrochloride
CID 119947232
4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide
CID 119693448
4-amino-5-chloro-N-cyclohexyl-2-methoxybenzamide;hydrochloride
CID 119670043
4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide
CID 119731737
4-amino-5-chloro-2-methoxy-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
CID 119839640
4-amino-5-chloro-2-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 119760302
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 120704485
3-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119886645
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
2-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185022
4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 119790756
4-amino-5-chloro-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride
CID 119750288

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-methoxybenzamide (CID 119886652) is 4-amino-5-chloro-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-methoxybenzamide is COc1cc(N)c(Cl)cc1C(=O)NCCc1nc(C2CCCCC2)cs1.
What is the InChIKey of 4-amino-5-chloro-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-methoxybenzamide?
The InChIKey is ZBEGPRFYJRMZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c1-25-17-10-15(21)14(20)9-13(17)19(24)22-8-7-18-23-16(11-26-18)12-5-3-2-4-6-12/h9-12H,2-8,21H2,1H3,(H,22,24).
What are the key properties of 4-amino-5-chloro-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-methoxybenzamide?
4-amino-5-chloro-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-methoxybenzamide has a molecular weight of 393.94 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 119886652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).