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

C14H18ClN3OS — CID 119772200

IUPAC2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride
SMILESCNCC(=O)NCc1sc(-c2ccccc2)nc1C.Cl
InChIInChI=1S/C14H17N3OS.ClH/c1-10-12(8-16-13(18)9-15-2)19-14(17-10)11-6-4-3-5-7-11;/h3-7,15H,8-9H2,1-2H3,(H,16,18);1H
InChIKeyXYZNFVQCXQJUIB-UHFFFAOYSA-N
MW311.84 g/mol
LogP2.38
Rot. Bonds5

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

2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride (PubChem CID 119772200) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride
PubChem CID119772200
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride
SMILESCNCC(=O)NCc1sc(-c2ccccc2)nc1C.Cl
InChIInChI=1S/C14H17N3OS.ClH/c1-10-12(8-16-13(18)9-15-2)19-14(17-10)11-6-4-3-5-7-11;/h3-7,15H,8-9H2,1-2H3,(H,16,18);1H
InChIKeyXYZNFVQCXQJUIB-UHFFFAOYSA-N
XLogP2.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 119772227
2-(4-fluorophenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546282
(2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide
CID 119316963
2-(4-ethoxyphenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546349
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 67080034
2,4-dimethyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 90546337
1-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119316972
2-(4-chlorophenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546287
2-amino-3-methoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide
CID 120988848
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 71795363
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 56824094
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide
CID 90546468

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride (CID 119772200) is 2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride is CNCC(=O)NCc1sc(-c2ccccc2)nc1C.Cl.
What is the InChIKey of 2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride?
The InChIKey is XYZNFVQCXQJUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS.ClH/c1-10-12(8-16-13(18)9-15-2)19-14(17-10)11-6-4-3-5-7-11;/h3-7,15H,8-9H2,1-2H3,(H,16,18);1H.
What are the key properties of 2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride?
2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride has a molecular weight of 311.84 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119772200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).