4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-3-hydroxybenzoic acid

C14H13N3O4S — CID 108800562

IUPAC4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-3-hydroxybenzoic acid
SMILESO=C(CC1=CSC2=NCCN12)Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C14H13N3O4S/c18-11-5-8(13(20)21)1-2-10(11)16-12(19)6-9-7-22-14-15-3-4-17(9)14/h1-2,5,7,18H,3-4,6H2,(H,16,19)(H,20,21)
InChIKeyYTMUJMRPLHVCMT-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.68
Rot. Bonds4

About 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-3-hydroxybenzoic acid

4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-3-hydroxybenzoic acid (PubChem CID 108800562) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-3-hydroxybenzoic acid
PubChem CID108800562
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Name4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-3-hydroxybenzoic acid
SMILESO=C(CC1=CSC2=NCCN12)Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C14H13N3O4S/c18-11-5-8(13(20)21)1-2-10(11)16-12(19)6-9-7-22-14-15-3-4-17(9)14/h1-2,5,7,18H,3-4,6H2,(H,16,19)(H,20,21)
InChIKeyYTMUJMRPLHVCMT-UHFFFAOYSA-N
XLogP1.68
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-acetyl-2-chlorophenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108800556
N-(4-chloro-2-pyridinyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108787582
ethyl 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate
CID 108787488
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 108787628
methyl 3-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate
CID 108800479
N-(4-cyanophenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108787570
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 108787696
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide
CID 108800450
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 108800468
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(1-phenylethyl)acetamide
CID 108787519
butyl 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate
CID 108787557
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 108800524

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-3-hydroxybenzoic acid?
The IUPAC name of 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-3-hydroxybenzoic acid (CID 108800562) is 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-3-hydroxybenzoic acid.
What is the SMILES notation for 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-3-hydroxybenzoic acid?
The canonical SMILES for 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-3-hydroxybenzoic acid is O=C(CC1=CSC2=NCCN12)Nc1ccc(C(=O)O)cc1O.
What is the InChIKey of 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-3-hydroxybenzoic acid?
The InChIKey is YTMUJMRPLHVCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S/c18-11-5-8(13(20)21)1-2-10(11)16-12(19)6-9-7-22-14-15-3-4-17(9)14/h1-2,5,7,18H,3-4,6H2,(H,16,19)(H,20,21).
What are the key properties of 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-3-hydroxybenzoic acid?
4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-3-hydroxybenzoic acid has a molecular weight of 319.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-3-hydroxybenzoic acid is sourced from PubChem (CID 108800562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).