methyl 2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate

C15H16N2O3S2 — CID 18103683

IUPACmethyl 2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)CSCc2ccc(C)cc2)s1
InChIInChI=1S/C15H16N2O3S2/c1-10-3-5-11(6-4-10)8-21-9-13(18)17-15-16-7-12(22-15)14(19)20-2/h3-7H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyKHEABRATLDMYIZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.11
Rot. Bonds6

About methyl 2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate

methyl 2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 18103683) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is methyl 2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID18103683
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Namemethyl 2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)CSCc2ccc(C)cc2)s1
InChIInChI=1S/C15H16N2O3S2/c1-10-3-5-11(6-4-10)8-21-9-13(18)17-15-16-7-12(22-15)14(19)20-2/h3-7H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyKHEABRATLDMYIZ-UHFFFAOYSA-N
XLogP3.11
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103773
methyl 2-[3-(4-methylphenyl)propanoylamino]-1,3-thiazole-5-carboxylate
CID 18121924
N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 47265578
methyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103641
5-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid
CID 43474328
methyl 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 31911755
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 16547912
2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 16615164
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 16545610
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 7920080
methyl 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103762
methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103649

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate (CID 18103683) is methyl 2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)CSCc2ccc(C)cc2)s1.
What is the InChIKey of methyl 2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is KHEABRATLDMYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-10-3-5-11(6-4-10)8-21-9-13(18)17-15-16-7-12(22-15)14(19)20-2/h3-7H,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of methyl 2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate?
methyl 2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 336.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18103683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).