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

C10H7ClN2O3S2 — CID 19715634

IUPAC2-[2-[(5-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(NC(=O)c2ccc(Cl)s2)s1
InChIInChI=1S/C10H7ClN2O3S2/c11-7-2-1-6(18-7)9(16)13-10-12-4-5(17-10)3-8(14)15/h1-2,4H,3H2,(H,14,15)(H,12,13,16)
InChIKeyULCQZNDZHLVOLM-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.74
Rot. Bonds4

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

2-[2-[(5-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-5-yl]acetic acid (PubChem CID 19715634) has the molecular formula C10H7ClN2O3S2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-[2-[(5-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-5-yl]acetic acid
PubChem CID19715634
Molecular FormulaC10H7ClN2O3S2
Molecular Weight302.76 g/mol
Exact Mass301.96
IUPAC Name2-[2-[(5-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(NC(=O)c2ccc(Cl)s2)s1
InChIInChI=1S/C10H7ClN2O3S2/c11-7-2-1-6(18-7)9(16)13-10-12-4-5(17-10)3-8(14)15/h1-2,4H,3H2,(H,14,15)(H,12,13,16)
InChIKeyULCQZNDZHLVOLM-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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[(5-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-5-yl]acetic acid (CID 19715634) is 2-[2-[(5-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(5-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(5-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1cnc(NC(=O)c2ccc(Cl)s2)s1.
What is the InChIKey of 2-[2-[(5-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is ULCQZNDZHLVOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3S2/c11-7-2-1-6(18-7)9(16)13-10-12-4-5(17-10)3-8(14)15/h1-2,4H,3H2,(H,14,15)(H,12,13,16).
What are the key properties of 2-[2-[(5-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-5-yl]acetic acid?
2-[2-[(5-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-5-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-[(5-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 19715634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).