3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride

C14H19Cl2N3OS — CID 119882710

IUPAC3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride
SMILESCc1nc(C)c(CCNC(=O)c2cccc(N)c2)s1.Cl.Cl
InChIInChI=1S/C14H17N3OS.2ClH/c1-9-13(19-10(2)17-9)6-7-16-14(18)11-4-3-5-12(15)8-11;;/h3-5,8H,6-7,15H2,1-2H3,(H,16,18);2*1H
InChIKeyCBNRVCGLHYWCGQ-UHFFFAOYSA-N
MW348.30 g/mol
LogP3.16
Rot. Bonds4

About 3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride

3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride (PubChem CID 119882710) has the molecular formula C14H19Cl2N3OS and a molecular weight of 348.30 g/mol. Its IUPAC name is 3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride
PubChem CID119882710
Molecular FormulaC14H19Cl2N3OS
Molecular Weight348.30 g/mol
Exact Mass347.06
IUPAC Name3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride
SMILESCc1nc(C)c(CCNC(=O)c2cccc(N)c2)s1.Cl.Cl
InChIInChI=1S/C14H17N3OS.2ClH/c1-9-13(19-10(2)17-9)6-7-16-14(18)11-4-3-5-12(15)8-11;;/h3-5,8H,6-7,15H2,1-2H3,(H,16,18);2*1H
InChIKeyCBNRVCGLHYWCGQ-UHFFFAOYSA-N
XLogP3.16
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110395079
2-(4-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide;dihydrochloride
CID 119882678
2-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 119947163
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide
CID 7222725
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid
CID 75482713
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide
CID 121122551
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzamide
CID 7222729
6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119184650
N-(2-acetamidoethyl)-3-aminobenzamide;hydrochloride
CID 119684027
3-amino-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313883
3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride
CID 120613101
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110743007

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride (CID 119882710) is 3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride is Cc1nc(C)c(CCNC(=O)c2cccc(N)c2)s1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride?
The InChIKey is CBNRVCGLHYWCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS.2ClH/c1-9-13(19-10(2)17-9)6-7-16-14(18)11-4-3-5-12(15)8-11;;/h3-5,8H,6-7,15H2,1-2H3,(H,16,18);2*1H.
What are the key properties of 3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride?
3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride has a molecular weight of 348.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119882710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).