2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid

C9H12N2O3S — CID 69471406

IUPAC2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid
SMILESCC(C)c1ncc(C(=O)NCC(=O)O)s1
InChIInChI=1S/C9H12N2O3S/c1-5(2)9-11-3-6(15-9)8(14)10-4-7(12)13/h3,5H,4H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyUJDLLHOOGIOSMU-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.08
Rot. Bonds4

About 2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid

2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid (PubChem CID 69471406) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid
PubChem CID69471406
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid
SMILESCC(C)c1ncc(C(=O)NCC(=O)O)s1
InChIInChI=1S/C9H12N2O3S/c1-5(2)9-11-3-6(15-9)8(14)10-4-7(12)13/h3,5H,4H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyUJDLLHOOGIOSMU-UHFFFAOYSA-N
XLogP1.08
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cobicistat metabolite M2-1
CID 53694701
N,2-dimethyl-1,3-thiazole-5-carboxamide
CID 47002207
N-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide
CID 47398670
Methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate
CID 47398728
Methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate
CID 47426301
(2R)-2-amino-3-[[2-(ethoxymethyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 178321632
YN8L3GA7BP
CID 156596486
2-tert-butyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 56070525
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 103723155
N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103770274
N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 104954949
2-[(2-Methyl-1,3-thiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 108041042

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid (CID 69471406) is 2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid is CC(C)c1ncc(C(=O)NCC(=O)O)s1.
What is the InChIKey of 2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid?
The InChIKey is UJDLLHOOGIOSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-5(2)9-11-3-6(15-9)8(14)10-4-7(12)13/h3,5H,4H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid?
2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid has a molecular weight of 228.27 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 69471406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).