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

C15H21Cl2N3OS — CID 120647219

IUPAC5-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylbenzamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)NCCc1nc(C)c(C)s1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-9-4-5-12(16)8-13(9)15(19)17-7-6-14-18-10(2)11(3)20-14;;/h4-5,8H,6-7,16H2,1-3H3,(H,17,19);2*1H
InChIKeyKSSQYTICZLFZRE-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.47
Rot. Bonds4

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

5-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylbenzamide;dihydrochloride (PubChem CID 120647219) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is 5-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylbenzamide;dihydrochloride.

Molecular Properties

Compound Name5-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylbenzamide;dihydrochloride
PubChem CID120647219
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC Name5-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylbenzamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)NCCc1nc(C)c(C)s1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-9-4-5-12(16)8-13(9)15(19)17-7-6-14-18-10(2)11(3)20-14;;/h4-5,8H,6-7,16H2,1-3H3,(H,17,19);2*1H
InChIKeyKSSQYTICZLFZRE-UHFFFAOYSA-N
XLogP3.47
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylbenzamide;dihydrochloride?
The IUPAC name of 5-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylbenzamide;dihydrochloride (CID 120647219) is 5-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylbenzamide;dihydrochloride.
What is the SMILES notation for 5-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylbenzamide;dihydrochloride?
The canonical SMILES for 5-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylbenzamide;dihydrochloride is Cc1ccc(N)cc1C(=O)NCCc1nc(C)c(C)s1.Cl.Cl.
What is the InChIKey of 5-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylbenzamide;dihydrochloride?
The InChIKey is KSSQYTICZLFZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.2ClH/c1-9-4-5-12(16)8-13(9)15(19)17-7-6-14-18-10(2)11(3)20-14;;/h4-5,8H,6-7,16H2,1-3H3,(H,17,19);2*1H.
What are the key properties of 5-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylbenzamide;dihydrochloride?
5-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylbenzamide;dihydrochloride has a molecular weight of 362.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylbenzamide;dihydrochloride is sourced from PubChem (CID 120647219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).