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

C15H21Cl2N3OS — CID 120644605

IUPAC5-amino-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride
SMILESCc1csc(C(C)(C)NC(=O)c2cc(N)ccc2C)n1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-9-5-6-11(16)7-12(9)13(19)18-15(3,4)14-17-10(2)8-20-14;;/h5-8H,16H2,1-4H3,(H,18,19);2*1H
InChIKeyQOEZKDYHHYICMC-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.85
Rot. Bonds3

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

5-amino-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride (PubChem CID 120644605) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride
PubChem CID120644605
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC Name5-amino-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride
SMILESCc1csc(C(C)(C)NC(=O)c2cc(N)ccc2C)n1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-9-5-6-11(16)7-12(9)13(19)18-15(3,4)14-17-10(2)8-20-14;;/h5-8H,16H2,1-4H3,(H,18,19);2*1H
InChIKeyQOEZKDYHHYICMC-UHFFFAOYSA-N
XLogP3.85
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.85
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

4-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride
CID 119858740
5-amino-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide;dihydrochloride
CID 120646354
2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]propanamide
CID 110470336
3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide
CID 110472495
2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride
CID 119858736
5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide
CID 105057681
5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbenzamide
CID 107864346
5-amino-N-(3-carbamoylpentan-3-yl)-2-methylbenzamide
CID 120629582
2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 61089683
5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide
CID 120620337
5-amino-N-carbamoyl-2-methylbenzamide
CID 130015000
5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride
CID 120646852

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride?
The IUPAC name of 5-amino-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride (CID 120644605) is 5-amino-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride.
What is the SMILES notation for 5-amino-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride?
The canonical SMILES for 5-amino-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride is Cc1csc(C(C)(C)NC(=O)c2cc(N)ccc2C)n1.Cl.Cl.
What is the InChIKey of 5-amino-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride?
The InChIKey is QOEZKDYHHYICMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.2ClH/c1-9-5-6-11(16)7-12(9)13(19)18-15(3,4)14-17-10(2)8-20-14;;/h5-8H,16H2,1-4H3,(H,18,19);2*1H.
What are the key properties of 5-amino-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride?
5-amino-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride has a molecular weight of 362.33 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride is sourced from PubChem (CID 120644605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).