2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide

C12H13N3O2S — CID 55116351

IUPAC2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)NC2CCCc3occc32)cs1
InChIInChI=1S/C12H13N3O2S/c13-12-15-9(6-18-12)11(16)14-8-2-1-3-10-7(8)4-5-17-10/h4-6,8H,1-3H2,(H2,13,15)(H,14,16)
InChIKeyWRVQQPRPHKFKIN-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.13
Rot. Bonds2

About 2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide

2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 55116351) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID55116351
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)NC2CCCc3occc32)cs1
InChIInChI=1S/C12H13N3O2S/c13-12-15-9(6-18-12)11(16)14-8-2-1-3-10-7(8)4-5-17-10/h4-6,8H,1-3H2,(H2,13,15)(H,14,16)
InChIKeyWRVQQPRPHKFKIN-UHFFFAOYSA-N
XLogP2.13
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide 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 2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide (CID 55116351) is 2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)NC2CCCc3occc32)cs1.
What is the InChIKey of 2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is WRVQQPRPHKFKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-12-15-9(6-18-12)11(16)14-8-2-1-3-10-7(8)4-5-17-10/h4-6,8H,1-3H2,(H2,13,15)(H,14,16).
What are the key properties of 2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide?
2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55116351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).