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

C10H9N3O3S2 — CID 103790076

IUPAC2-[2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1ncc(C(=O)Nc2nc(CC(=O)O)cs2)s1
InChIInChI=1S/C10H9N3O3S2/c1-5-11-3-7(18-5)9(16)13-10-12-6(4-17-10)2-8(14)15/h3-4H,2H2,1H3,(H,14,15)(H,12,13,16)
InChIKeyWGBQPMOGXBNAQC-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.79
Rot. Bonds4

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

2-[2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 103790076) has the molecular formula C10H9N3O3S2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID103790076
Molecular FormulaC10H9N3O3S2
Molecular Weight283.33 g/mol
Exact Mass283.01
IUPAC Name2-[2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1ncc(C(=O)Nc2nc(CC(=O)O)cs2)s1
InChIInChI=1S/C10H9N3O3S2/c1-5-11-3-7(18-5)9(16)13-10-12-6(4-17-10)2-8(14)15/h3-4H,2H2,1H3,(H,14,15)(H,12,13,16)
InChIKeyWGBQPMOGXBNAQC-UHFFFAOYSA-N
XLogP1.79
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 28777667
2-[2-(thieno[3,2-b]thiophene-5-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 80728804
2-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid
CID 113424571
2-[2-[(5-bromopyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62960563
2-[2-[(3-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80644266
2-[2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 43583178
2-[2-[(4-iodobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 43089417
2-[2-(thiadiazole-4-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 62032288
2-[2-[[5-[(N-methylanilino)methyl]thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 145485655
2-[2-[[2-(3,4-dimethylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 60708471
2-[2-[(2-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 106860455
2-[2-[(3-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 63194252

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 103790076) is 2-[2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid is Cc1ncc(C(=O)Nc2nc(CC(=O)O)cs2)s1.
What is the InChIKey of 2-[2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is WGBQPMOGXBNAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S2/c1-5-11-3-7(18-5)9(16)13-10-12-6(4-17-10)2-8(14)15/h3-4H,2H2,1H3,(H,14,15)(H,12,13,16).
What are the key properties of 2-[2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 283.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 103790076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).