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

C14H14N2O3S — CID 83970097

IUPAC2-[5-[(4-carbamoylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
SMILESCc1nc(CC(=O)O)sc1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H14N2O3S/c1-8-11(20-12(16-8)7-13(17)18)6-9-2-4-10(5-3-9)14(15)19/h2-5H,6-7H2,1H3,(H2,15,19)(H,17,18)
InChIKeyVYWJCLFOONAMGM-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.77
Rot. Bonds5

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

2-[5-[(4-carbamoylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid (PubChem CID 83970097) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[5-[(4-carbamoylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(4-carbamoylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
PubChem CID83970097
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-[5-[(4-carbamoylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
SMILESCc1nc(CC(=O)O)sc1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H14N2O3S/c1-8-11(20-12(16-8)7-13(17)18)6-9-2-4-10(5-3-9)14(15)19/h2-5H,6-7H2,1H3,(H2,15,19)(H,17,18)
InChIKeyVYWJCLFOONAMGM-UHFFFAOYSA-N
XLogP1.77
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970111
4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 83969989
2-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]phenyl]acetic acid
CID 83969992
2-[4-methyl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82094233
2-[5-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970138
propyl 4-[[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzoate
CID 83970145
2-[2-[(3,4-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64662495
[5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 82054609
3-[2-[(4-tert-butylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 94761129
2-[2-[2-(benzylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82155047
2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82093695
1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea
CID 110645409

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-carbamoylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[(4-carbamoylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid (CID 83970097) is 2-[5-[(4-carbamoylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(4-carbamoylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(4-carbamoylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid is Cc1nc(CC(=O)O)sc1Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 2-[5-[(4-carbamoylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid?
The InChIKey is VYWJCLFOONAMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-8-11(20-12(16-8)7-13(17)18)6-9-2-4-10(5-3-9)14(15)19/h2-5H,6-7H2,1H3,(H2,15,19)(H,17,18).
What are the key properties of 2-[5-[(4-carbamoylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid?
2-[5-[(4-carbamoylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid has a molecular weight of 290.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-carbamoylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 83970097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).