4-methyl-2-(2-methyl-6-propan-2-ylanilino)-1,3-thiazole-5-carboxylate

C15H17N2O2S- — CID 9154529

IUPAC4-methyl-2-(2-methyl-6-propan-2-ylanilino)-1,3-thiazole-5-carboxylate
SMILESCc1cccc(C(C)C)c1Nc1nc(C)c(C(=O)[O-])s1
InChIInChI=1S/C15H18N2O2S/c1-8(2)11-7-5-6-9(3)12(11)17-15-16-10(4)13(20-15)14(18)19/h5-8H,1-4H3,(H,16,17)(H,18,19)/p-1
InChIKeyYMDGCHQSPYSZEN-UHFFFAOYSA-M
MW289.38 g/mol
LogP2.99
Rot. Bonds4

About 4-methyl-2-(2-methyl-6-propan-2-ylanilino)-1,3-thiazole-5-carboxylate

4-methyl-2-(2-methyl-6-propan-2-ylanilino)-1,3-thiazole-5-carboxylate (PubChem CID 9154529) has the molecular formula C15H17N2O2S- and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-methyl-2-(2-methyl-6-propan-2-ylanilino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name4-methyl-2-(2-methyl-6-propan-2-ylanilino)-1,3-thiazole-5-carboxylate
PubChem CID9154529
Molecular FormulaC15H17N2O2S-
Molecular Weight289.38 g/mol
Exact Mass289.10
IUPAC Name4-methyl-2-(2-methyl-6-propan-2-ylanilino)-1,3-thiazole-5-carboxylate
SMILESCc1cccc(C(C)C)c1Nc1nc(C)c(C(=O)[O-])s1
InChIInChI=1S/C15H18N2O2S/c1-8(2)11-7-5-6-9(3)12(11)17-15-16-10(4)13(20-15)14(18)19/h5-8H,1-4H3,(H,16,17)(H,18,19)/p-1
InChIKeyYMDGCHQSPYSZEN-UHFFFAOYSA-M
XLogP2.99
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(2-propan-2-ylanilino)-1,3-thiazole-5-carboxylate
CID 9154495
2-[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 9158828
2-[[5-[4-[2,6-di(propan-2-yl)anilino]-3,4-dioxobutanoyl]-4-methyl-1,3-thiazol-2-yl]amino]-N-hydroxybenzeneamine oxide
CID 21142721
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 47240041
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 30134184
1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone
CID 47302553
[2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249307
4-(2-methyl-6-propan-2-ylanilino)-4-oxobut-2-enoate
CID 5085766
N-(2-methyl-6-propan-2-ylphenyl)-5-nitrothiophene-2-carboxamide
CID 26218909
4-methyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 9154510
methyl N-[6-(2-methyl-6-propan-2-ylanilino)pyridazin-3-yl]carbamate
CID 113047064

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methyl-6-propan-2-ylanilino)-1,3-thiazole-5-carboxylate?
The IUPAC name of 4-methyl-2-(2-methyl-6-propan-2-ylanilino)-1,3-thiazole-5-carboxylate (CID 9154529) is 4-methyl-2-(2-methyl-6-propan-2-ylanilino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 4-methyl-2-(2-methyl-6-propan-2-ylanilino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for 4-methyl-2-(2-methyl-6-propan-2-ylanilino)-1,3-thiazole-5-carboxylate is Cc1cccc(C(C)C)c1Nc1nc(C)c(C(=O)[O-])s1.
What is the InChIKey of 4-methyl-2-(2-methyl-6-propan-2-ylanilino)-1,3-thiazole-5-carboxylate?
The InChIKey is YMDGCHQSPYSZEN-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H18N2O2S/c1-8(2)11-7-5-6-9(3)12(11)17-15-16-10(4)13(20-15)14(18)19/h5-8H,1-4H3,(H,16,17)(H,18,19)/p-1.
What are the key properties of 4-methyl-2-(2-methyl-6-propan-2-ylanilino)-1,3-thiazole-5-carboxylate?
4-methyl-2-(2-methyl-6-propan-2-ylanilino)-1,3-thiazole-5-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methyl-6-propan-2-ylanilino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 9154529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).