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

C13H15N3OS — CID 9356378

IUPACN-[4-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCNc1nc(-c2ccc(NC(C)=O)cc2)c(C)s1
InChIInChI=1S/C13H15N3OS/c1-8-12(16-13(14-3)18-8)10-4-6-11(7-5-10)15-9(2)17/h4-7H,1-3H3,(H,14,16)(H,15,17)
InChIKeyLMPGPXREXVJKTC-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.12
Rot. Bonds3

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

N-[4-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 9356378) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[4-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID9356378
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-[4-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCNc1nc(-c2ccc(NC(C)=O)cc2)c(C)s1
InChIInChI=1S/C13H15N3OS/c1-8-12(16-13(14-3)18-8)10-4-6-11(7-5-10)15-9(2)17/h4-7H,1-3H3,(H,14,16)(H,15,17)
InChIKeyLMPGPXREXVJKTC-UHFFFAOYSA-N
XLogP3.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356331
4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 9094369
2-(4-acetamidophenyl)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 27990329
N-[4-[2-(3-ethoxypropylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide
CID 9232326
N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide
CID 9356294
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
2-methyl-N-[4-[5-methyl-2-(2-methylpropylamino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 9343336
5-acetamido-2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 60564511
N-[4-[2-(2-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide
CID 17426414
N-[4-[5-methyl-2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9174136
1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea
CID 4640164
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 40986682

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide (CID 9356378) is N-[4-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide is CNc1nc(-c2ccc(NC(C)=O)cc2)c(C)s1.
What is the InChIKey of N-[4-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is LMPGPXREXVJKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8-12(16-13(14-3)18-8)10-4-6-11(7-5-10)15-9(2)17/h4-7H,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-[4-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
N-[4-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 261.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 9356378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).