1-[5-[2-[4-(carboxyamino)-3-methyl-1,2-oxazol-5-yl]ethynyl]thieno[2,3-d][1,3]thiazol-2-yl]cyclopropane-1-carboxylic acid

C16H11N3O5S2 — CID 144533004

IUPAC1-[5-[2-[4-(carboxyamino)-3-methyl-1,2-oxazol-5-yl]ethynyl]thieno[2,3-d][1,3]thiazol-2-yl]cyclopropane-1-carboxylic acid
SMILESCc1noc(C#Cc2cc3sc(C4(C(=O)O)CC4)nc3s2)c1NC(=O)O
InChIInChI=1S/C16H11N3O5S2/c1-7-11(17-15(22)23)9(24-19-7)3-2-8-6-10-12(25-8)18-13(26-10)16(4-5-16)14(20)21/h6,17H,4-5H2,1H3,(H,20,21)(H,22,23)
InChIKeyAEJPVDGOHVVDOD-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.26
Rot. Bonds3

About 1-[5-[2-[4-(carboxyamino)-3-methyl-1,2-oxazol-5-yl]ethynyl]thieno[2,3-d][1,3]thiazol-2-yl]cyclopropane-1-carboxylic acid

1-[5-[2-[4-(carboxyamino)-3-methyl-1,2-oxazol-5-yl]ethynyl]thieno[2,3-d][1,3]thiazol-2-yl]cyclopropane-1-carboxylic acid (PubChem CID 144533004) has the molecular formula C16H11N3O5S2 and a molecular weight of 389.41 g/mol. Its IUPAC name is 1-[5-[2-[4-(carboxyamino)-3-methyl-1,2-oxazol-5-yl]ethynyl]thieno[2,3-d][1,3]thiazol-2-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-[2-[4-(carboxyamino)-3-methyl-1,2-oxazol-5-yl]ethynyl]thieno[2,3-d][1,3]thiazol-2-yl]cyclopropane-1-carboxylic acid
PubChem CID144533004
Molecular FormulaC16H11N3O5S2
Molecular Weight389.41 g/mol
Exact Mass389.01
IUPAC Name1-[5-[2-[4-(carboxyamino)-3-methyl-1,2-oxazol-5-yl]ethynyl]thieno[2,3-d][1,3]thiazol-2-yl]cyclopropane-1-carboxylic acid
SMILESCc1noc(C#Cc2cc3sc(C4(C(=O)O)CC4)nc3s2)c1NC(=O)O
InChIInChI=1S/C16H11N3O5S2/c1-7-11(17-15(22)23)9(24-19-7)3-2-8-6-10-12(25-8)18-13(26-10)16(4-5-16)14(20)21/h6,17H,4-5H2,1H3,(H,20,21)(H,22,23)
InChIKeyAEJPVDGOHVVDOD-UHFFFAOYSA-N
XLogP3.26
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[5-[2-[4-(carboxyamino)-3-methyl-1,2-oxazol-5-yl]ethynyl]thieno[2,3-d][1,3]thiazol-2-yl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[4-(carboxyamino)-3-methyl-1,2-oxazol-5-yl]ethynyl]thieno[2,3-d][1,3]thiazol-2-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[5-[2-[4-(carboxyamino)-3-methyl-1,2-oxazol-5-yl]ethynyl]thieno[2,3-d][1,3]thiazol-2-yl]cyclopropane-1-carboxylic acid (CID 144533004) is 1-[5-[2-[4-(carboxyamino)-3-methyl-1,2-oxazol-5-yl]ethynyl]thieno[2,3-d][1,3]thiazol-2-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[5-[2-[4-(carboxyamino)-3-methyl-1,2-oxazol-5-yl]ethynyl]thieno[2,3-d][1,3]thiazol-2-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[5-[2-[4-(carboxyamino)-3-methyl-1,2-oxazol-5-yl]ethynyl]thieno[2,3-d][1,3]thiazol-2-yl]cyclopropane-1-carboxylic acid is Cc1noc(C#Cc2cc3sc(C4(C(=O)O)CC4)nc3s2)c1NC(=O)O.
What is the InChIKey of 1-[5-[2-[4-(carboxyamino)-3-methyl-1,2-oxazol-5-yl]ethynyl]thieno[2,3-d][1,3]thiazol-2-yl]cyclopropane-1-carboxylic acid?
The InChIKey is AEJPVDGOHVVDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O5S2/c1-7-11(17-15(22)23)9(24-19-7)3-2-8-6-10-12(25-8)18-13(26-10)16(4-5-16)14(20)21/h6,17H,4-5H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 1-[5-[2-[4-(carboxyamino)-3-methyl-1,2-oxazol-5-yl]ethynyl]thieno[2,3-d][1,3]thiazol-2-yl]cyclopropane-1-carboxylic acid?
1-[5-[2-[4-(carboxyamino)-3-methyl-1,2-oxazol-5-yl]ethynyl]thieno[2,3-d][1,3]thiazol-2-yl]cyclopropane-1-carboxylic acid has a molecular weight of 389.41 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[4-(carboxyamino)-3-methyl-1,2-oxazol-5-yl]ethynyl]thieno[2,3-d][1,3]thiazol-2-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 144533004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).