2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid

C8H10N2O3S — CID 82058750

IUPAC2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid
SMILESCC(=O)Nc1nc(C)c(CC(=O)O)s1
InChIInChI=1S/C8H10N2O3S/c1-4-6(3-7(12)13)14-8(9-4)10-5(2)11/h3H2,1-2H3,(H,12,13)(H,9,10,11)
InChIKeyQBNXIQUAPZQPOB-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.04
Rot. Bonds3

About 2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid

2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid (PubChem CID 82058750) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid
PubChem CID82058750
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid
SMILESCC(=O)Nc1nc(C)c(CC(=O)O)s1
InChIInChI=1S/C8H10N2O3S/c1-4-6(3-7(12)13)14-8(9-4)10-5(2)11/h3H2,1-2H3,(H,12,13)(H,9,10,11)
InChIKeyQBNXIQUAPZQPOB-UHFFFAOYSA-N
XLogP1.04
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058764
2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 93206259
2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 82058765
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 82058766
2-[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82058768
2-[2-(2,6-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065147
2-[2-acetamido-4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid
CID 39199983
2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39199975
2-[4-methyl-2-(4-propan-2-ylanilino)-1,3-thiazol-5-yl]acetic acid
CID 82065114
2-[4-methyl-2-(naphthalen-1-ylamino)-1,3-thiazol-5-yl]acetic acid
CID 82065133
2-[2-[2-(4-hydroxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 84761863

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid (CID 82058750) is 2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid is CC(=O)Nc1nc(C)c(CC(=O)O)s1.
What is the InChIKey of 2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid?
The InChIKey is QBNXIQUAPZQPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-4-6(3-7(12)13)14-8(9-4)10-5(2)11/h3H2,1-2H3,(H,12,13)(H,9,10,11).
What are the key properties of 2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid?
2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid has a molecular weight of 214.25 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid is sourced from PubChem (CID 82058750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).