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

C15H21Cl2N3OS — CID 120646354

IUPAC5-amino-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide;dihydrochloride
SMILESCCC(NC(=O)c1cc(N)ccc1C)c1nc(C)cs1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-4-13(15-17-10(3)8-20-15)18-14(19)12-7-11(16)6-5-9(12)2;;/h5-8,13H,4,16H2,1-3H3,(H,18,19);2*1H
InChIKeyYHCQHGFUBQFPJF-UHFFFAOYSA-N
MW362.33 g/mol
LogP4.07
Rot. Bonds4

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

5-amino-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide;dihydrochloride (PubChem CID 120646354) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide;dihydrochloride
PubChem CID120646354
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC Name5-amino-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide;dihydrochloride
SMILESCCC(NC(=O)c1cc(N)ccc1C)c1nc(C)cs1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-4-13(15-17-10(3)8-20-15)18-14(19)12-7-11(16)6-5-9(12)2;;/h5-8,13H,4,16H2,1-3H3,(H,18,19);2*1H
InChIKeyYHCQHGFUBQFPJF-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
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-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,4-dicarboxamide
CID 119121653
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119879043
3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide
CID 119121660
5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride
CID 120646852
1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119878993
5-amino-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride
CID 120644605
4-(2-amino-2-oxoethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 119121657
4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119879007
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119879072
N-[(1S)-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propyl]benzamide
CID 95772810
(2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide
CID 119879076
2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 61089683

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide;dihydrochloride?
The IUPAC name of 5-amino-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide;dihydrochloride (CID 120646354) is 5-amino-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide;dihydrochloride.
What is the SMILES notation for 5-amino-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide;dihydrochloride?
The canonical SMILES for 5-amino-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide;dihydrochloride is CCC(NC(=O)c1cc(N)ccc1C)c1nc(C)cs1.Cl.Cl.
What is the InChIKey of 5-amino-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide;dihydrochloride?
The InChIKey is YHCQHGFUBQFPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.2ClH/c1-4-13(15-17-10(3)8-20-15)18-14(19)12-7-11(16)6-5-9(12)2;;/h5-8,13H,4,16H2,1-3H3,(H,18,19);2*1H.
What are the key properties of 5-amino-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide;dihydrochloride?
5-amino-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide;dihydrochloride has a molecular weight of 362.33 g/mol, XLogP of 4.07, 4 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-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide;dihydrochloride is sourced from PubChem (CID 120646354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).