2-[4-methyl-2-(4-propan-2-ylanilino)-1,3-thiazol-5-yl]acetic acid

C15H18N2O2S — CID 82065114

IUPAC2-[4-methyl-2-(4-propan-2-ylanilino)-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(Nc2ccc(C(C)C)cc2)sc1CC(=O)O
InChIInChI=1S/C15H18N2O2S/c1-9(2)11-4-6-12(7-5-11)17-15-16-10(3)13(20-15)8-14(18)19/h4-7,9H,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyGWZQVSQDHAWGKE-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.95
Rot. Bonds5

About 2-[4-methyl-2-(4-propan-2-ylanilino)-1,3-thiazol-5-yl]acetic acid

2-[4-methyl-2-(4-propan-2-ylanilino)-1,3-thiazol-5-yl]acetic acid (PubChem CID 82065114) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[4-methyl-2-(4-propan-2-ylanilino)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-2-(4-propan-2-ylanilino)-1,3-thiazol-5-yl]acetic acid
PubChem CID82065114
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-[4-methyl-2-(4-propan-2-ylanilino)-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(Nc2ccc(C(C)C)cc2)sc1CC(=O)O
InChIInChI=1S/C15H18N2O2S/c1-9(2)11-4-6-12(7-5-11)17-15-16-10(3)13(20-15)8-14(18)19/h4-7,9H,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyGWZQVSQDHAWGKE-UHFFFAOYSA-N
XLogP3.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methylanilino)-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 2295082
2-[2-anilino-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 23913706
2-[4-methyl-2-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 84816847
2-[4-methyl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82094233
2-[2-(4-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 956764
2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058750
2-[2-(2,6-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065147
2-[4-methyl-2-(naphthalen-1-ylamino)-1,3-thiazol-5-yl]acetic acid
CID 82065133
2-[2-(4-hydroxy-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065111
2-(4-fluoroanilino)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 30142215
2-[2-(2,5-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065142
2-[2-(2-methylpropanoylamino)-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200051

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(4-propan-2-ylanilino)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-methyl-2-(4-propan-2-ylanilino)-1,3-thiazol-5-yl]acetic acid (CID 82065114) is 2-[4-methyl-2-(4-propan-2-ylanilino)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-2-(4-propan-2-ylanilino)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-2-(4-propan-2-ylanilino)-1,3-thiazol-5-yl]acetic acid is Cc1nc(Nc2ccc(C(C)C)cc2)sc1CC(=O)O.
What is the InChIKey of 2-[4-methyl-2-(4-propan-2-ylanilino)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is GWZQVSQDHAWGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-9(2)11-4-6-12(7-5-11)17-15-16-10(3)13(20-15)8-14(18)19/h4-7,9H,8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[4-methyl-2-(4-propan-2-ylanilino)-1,3-thiazol-5-yl]acetic acid?
2-[4-methyl-2-(4-propan-2-ylanilino)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 290.39 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(4-propan-2-ylanilino)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82065114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).