2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide

C13H15N3OS — CID 110386251

IUPAC2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
SMILESCNc1nc(CC(=O)Nc2ccccc2C)cs1
InChIInChI=1S/C13H15N3OS/c1-9-5-3-4-6-11(9)16-12(17)7-10-8-18-13(14-2)15-10/h3-6,8H,7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeySTXGRTDDXFIPAP-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.67
Rot. Bonds4

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

2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide (PubChem CID 110386251) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
PubChem CID110386251
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
SMILESCNc1nc(CC(=O)Nc2ccccc2C)cs1
InChIInChI=1S/C13H15N3OS/c1-9-5-3-4-6-11(9)16-12(17)7-10-8-18-13(14-2)15-10/h3-6,8H,7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeySTXGRTDDXFIPAP-UHFFFAOYSA-N
XLogP2.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 110374734
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 7667740
hydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 156706883
N-(4-tert-butylphenyl)-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide
CID 110386263
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 30267673
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide
CID 30940457
2-[2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 10916868
N-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9123420
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51258130
N-(2,4-dimethylphenyl)-2-[2-(ethylamino)-1,3-thiazol-4-yl]acetamide
CID 18525097
3-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide
CID 46461718
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide
CID 27542821

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide (CID 110386251) is 2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide is CNc1nc(CC(=O)Nc2ccccc2C)cs1.
What is the InChIKey of 2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is STXGRTDDXFIPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-5-3-4-6-11(9)16-12(17)7-10-8-18-13(14-2)15-10/h3-6,8H,7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide?
2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 261.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 110386251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).