2-[2-(thieno[3,2-b]thiophene-5-carbonylamino)-1,3-thiazol-4-yl]acetic acid

C12H8N2O3S3 — CID 80728804

IUPAC2-[2-(thieno[3,2-b]thiophene-5-carbonylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)c2cc3sccc3s2)n1
InChIInChI=1S/C12H8N2O3S3/c15-10(16)3-6-5-19-12(13-6)14-11(17)9-4-8-7(20-9)1-2-18-8/h1-2,4-5H,3H2,(H,15,16)(H,13,14,17)
InChIKeyANJUWHLKALMOGS-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.30
Rot. Bonds4

About 2-[2-(thieno[3,2-b]thiophene-5-carbonylamino)-1,3-thiazol-4-yl]acetic acid

2-[2-(thieno[3,2-b]thiophene-5-carbonylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 80728804) has the molecular formula C12H8N2O3S3 and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-[2-(thieno[3,2-b]thiophene-5-carbonylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(thieno[3,2-b]thiophene-5-carbonylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID80728804
Molecular FormulaC12H8N2O3S3
Molecular Weight324.41 g/mol
Exact Mass323.97
IUPAC Name2-[2-(thieno[3,2-b]thiophene-5-carbonylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)c2cc3sccc3s2)n1
InChIInChI=1S/C12H8N2O3S3/c15-10(16)3-6-5-19-12(13-6)14-11(17)9-4-8-7(20-9)1-2-18-8/h1-2,4-5H,3H2,(H,15,16)(H,13,14,17)
InChIKeyANJUWHLKALMOGS-UHFFFAOYSA-N
XLogP3.30
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(3-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80644266
2-[2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 103790076
2-[2-[(4-iodobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 43089417
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 61406615
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid
CID 80733577
2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 106683297
2-[2-(furan-3-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 16774692
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-[(5-bromopyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62960563
2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 81290528

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thieno[3,2-b]thiophene-5-carbonylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(thieno[3,2-b]thiophene-5-carbonylamino)-1,3-thiazol-4-yl]acetic acid (CID 80728804) is 2-[2-(thieno[3,2-b]thiophene-5-carbonylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(thieno[3,2-b]thiophene-5-carbonylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(thieno[3,2-b]thiophene-5-carbonylamino)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NC(=O)c2cc3sccc3s2)n1.
What is the InChIKey of 2-[2-(thieno[3,2-b]thiophene-5-carbonylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is ANJUWHLKALMOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3S3/c15-10(16)3-6-5-19-12(13-6)14-11(17)9-4-8-7(20-9)1-2-18-8/h1-2,4-5H,3H2,(H,15,16)(H,13,14,17).
What are the key properties of 2-[2-(thieno[3,2-b]thiophene-5-carbonylamino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(thieno[3,2-b]thiophene-5-carbonylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 324.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thieno[3,2-b]thiophene-5-carbonylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 80728804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).