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

C10H7ClN2O3S2 — CID 80644266

IUPAC2-[2-[(3-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)c2sccc2Cl)n1
InChIInChI=1S/C10H7ClN2O3S2/c11-6-1-2-17-8(6)9(16)13-10-12-5(4-18-10)3-7(14)15/h1-2,4H,3H2,(H,14,15)(H,12,13,16)
InChIKeyUZZIKTHDWNOLPY-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.74
Rot. Bonds4

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

2-[2-[(3-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 80644266) has the molecular formula C10H7ClN2O3S2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-[2-[(3-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID80644266
Molecular FormulaC10H7ClN2O3S2
Molecular Weight302.76 g/mol
Exact Mass301.96
IUPAC Name2-[2-[(3-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)c2sccc2Cl)n1
InChIInChI=1S/C10H7ClN2O3S2/c11-6-1-2-17-8(6)9(16)13-10-12-5(4-18-10)3-7(14)15/h1-2,4H,3H2,(H,14,15)(H,12,13,16)
InChIKeyUZZIKTHDWNOLPY-UHFFFAOYSA-N
XLogP2.74
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 106683297
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
2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 81290528
2-[2-(furan-3-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 16774692
2-[2-(thieno[3,2-b]thiophene-5-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 80728804
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-bromopyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62960563
2-[2-[(2-bromo-4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 107986384
methyl 2-[2-[(3-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 47284512
2-[2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 103790076

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(3-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 80644266) is 2-[2-[(3-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(3-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(3-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NC(=O)c2sccc2Cl)n1.
What is the InChIKey of 2-[2-[(3-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is UZZIKTHDWNOLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3S2/c11-6-1-2-17-8(6)9(16)13-10-12-5(4-18-10)3-7(14)15/h1-2,4H,3H2,(H,14,15)(H,12,13,16).
What are the key properties of 2-[2-[(3-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(3-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 302.76 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 80644266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).