2-methyl-3-(methylamino)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide;hydrochloride

C16H22ClN3OS — CID 119681505

IUPAC2-methyl-3-(methylamino)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1.Cl
InChIInChI=1S/C16H21N3OS.ClH/c1-10-5-7-13(8-6-10)14-12(3)21-16(18-14)19-15(20)11(2)9-17-4;/h5-8,11,17H,9H2,1-4H3,(H,18,19,20);1H
InChIKeyLYPUJRPUSRGWCC-UHFFFAOYSA-N
MW339.89 g/mol
LogP3.64
Rot. Bonds5

About 2-methyl-3-(methylamino)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide;hydrochloride (PubChem CID 119681505) has the molecular formula C16H22ClN3OS and a molecular weight of 339.89 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide;hydrochloride
PubChem CID119681505
Molecular FormulaC16H22ClN3OS
Molecular Weight339.89 g/mol
Exact Mass339.12
IUPAC Name2-methyl-3-(methylamino)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1.Cl
InChIInChI=1S/C16H21N3OS.ClH/c1-10-5-7-13(8-6-10)14-12(3)21-16(18-14)19-15(20)11(2)9-17-4;/h5-8,11,17H,9H2,1-4H3,(H,18,19,20);1H
InChIKeyLYPUJRPUSRGWCC-UHFFFAOYSA-N
XLogP3.64
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.89
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119681461
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119693581
(2S)-2-amino-3-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119267022
(2R)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
CID 25495361
2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 74077409
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 4615365
(2S)-2-amino-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
CID 119267011
(2R)-2-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 119264683
2-methyl-3-(methylamino)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119893382
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 19183929
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 19172938
2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 120984258

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide;hydrochloride (CID 119681505) is 2-methyl-3-(methylamino)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide;hydrochloride is CNCC(C)C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide;hydrochloride?
The InChIKey is LYPUJRPUSRGWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS.ClH/c1-10-5-7-13(8-6-10)14-12(3)21-16(18-14)19-15(20)11(2)9-17-4;/h5-8,11,17H,9H2,1-4H3,(H,18,19,20);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide;hydrochloride has a molecular weight of 339.89 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 119681505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).