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

C15H21Cl2N3OS — CID 120828174

IUPACN-[2-(methylamino)propyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1cccc(-c2nc(C)cs2)c1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-10(16-3)8-17-14(19)12-5-4-6-13(7-12)15-18-11(2)9-20-15;;/h4-7,9-10,16H,8H2,1-3H3,(H,17,19);2*1H
InChIKeyIYSNXANNNJIDLE-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.30
Rot. Bonds5

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

N-[2-(methylamino)propyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride (PubChem CID 120828174) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride
PubChem CID120828174
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC NameN-[2-(methylamino)propyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1cccc(-c2nc(C)cs2)c1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-10(16-3)8-17-14(19)12-5-4-6-13(7-12)15-18-11(2)9-20-15;;/h4-7,9-10,16H,8H2,1-3H3,(H,17,19);2*1H
InChIKeyIYSNXANNNJIDLE-UHFFFAOYSA-N
XLogP3.30
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride
CID 119606777
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 120947563
3-methyl-2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]butanoic acid
CID 119170390
N-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 120652084
2-[(4-ethoxyphenyl)methyl]-3-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]propanoic acid
CID 166224815
3-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]-propan-2-ylamino]propanoic acid
CID 119207680
N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120831654
N-[2-(methylamino)propyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120830156
4-methoxy-2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]butanoic acid
CID 120702327
3-(4-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride
CID 119535155
N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 120831655
3-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethoxy)benzamide
CID 110354990

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride (CID 120828174) is N-[2-(methylamino)propyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride is CNC(C)CNC(=O)c1cccc(-c2nc(C)cs2)c1.Cl.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride?
The InChIKey is IYSNXANNNJIDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.2ClH/c1-10(16-3)8-17-14(19)12-5-4-6-13(7-12)15-18-11(2)9-20-15;;/h4-7,9-10,16H,8H2,1-3H3,(H,17,19);2*1H.
What are the key properties of N-[2-(methylamino)propyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride?
N-[2-(methylamino)propyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride has a molecular weight of 362.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride is sourced from PubChem (CID 120828174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).