2-[2-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetic acid

C14H12N6O4S2 — CID 2729307

IUPAC2-[2-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc(O)cc2)n1
InChIInChI=1S/C14H12N6O4S2/c21-10-3-1-9(2-4-10)20-14(17-18-19-20)26-7-11(22)16-13-15-8(6-25-13)5-12(23)24/h1-4,6,21H,5,7H2,(H,23,24)(H,15,16,22)
InChIKeyMZKHTVNYYXYNEB-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.18
Rot. Bonds7

About 2-[2-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetic acid

2-[2-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 2729307) has the molecular formula C14H12N6O4S2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-[2-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID2729307
Molecular FormulaC14H12N6O4S2
Molecular Weight392.42 g/mol
Exact Mass392.04
IUPAC Name2-[2-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc(O)cc2)n1
InChIInChI=1S/C14H12N6O4S2/c21-10-3-1-9(2-4-10)20-14(17-18-19-20)26-7-11(22)16-13-15-8(6-25-13)5-12(23)24/h1-4,6,21H,5,7H2,(H,23,24)(H,15,16,22)
InChIKeyMZKHTVNYYXYNEB-UHFFFAOYSA-N
XLogP1.18
TPSA143.12 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[2-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetic acid with MolForge

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Related Compounds

N-(5-{2-[(4-hydroxyphenyl)amino]-1,3-thiazol-4-yl}-4-methyl-1,3-thiazol-2-yl)acetamide
CID 653511
N-[2-(4-Hydroxy-phenylamino)-4'-methyl-[4,5']bithiazolyl-2'-yl]-acetamide
CID 2877277
N-{2-[(4-hydroxyphenyl)amino]-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl}propanamide hydrobromide
CID 1117199
4-[[4-(2-Amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol
CID 2866860
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-{[4-(trifluoromethoxy)phenyl]amino}-1,3-thiazol-4-yl)acetamide
CID 27377810
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4806416
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8177436
N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide
CID 2877581
N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide bromide
CID 53314639
Ethyl {2-[({[1-(4-hydroxyphenyl)-1H-tetraazol-5-YL]sulfanyl}acetyl)amino]-1,3-thiazol-4-YL}acetate
CID 3664697
4-Thiazoleacetic acid, 2-[(4-hydroxyphenyl)amino]-
CID 9154715
2-[2-[1-(4-Methoxyphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 18707926

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetic acid (CID 2729307) is 2-[2-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc(O)cc2)n1.
What is the InChIKey of 2-[2-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is MZKHTVNYYXYNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O4S2/c21-10-3-1-9(2-4-10)20-14(17-18-19-20)26-7-11(22)16-13-15-8(6-25-13)5-12(23)24/h1-4,6,21H,5,7H2,(H,23,24)(H,15,16,22).
What are the key properties of 2-[2-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 392.42 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 2729307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).