2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide

C11H17N3O2S — CID 106381193

IUPAC2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C11H17N3O2S/c12-9-4-2-1-3-8(9)10(15)13-5-7-6-17-11(16)14-7/h6,8-9H,1-5,12H2,(H,13,15)(H,14,16)
InChIKeyDKFWVGLDAIFYFS-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.57
Rot. Bonds3

About 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide

2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 106381193) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
PubChem CID106381193
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C11H17N3O2S/c12-9-4-2-1-3-8(9)10(15)13-5-7-6-17-11(16)14-7/h6,8-9H,1-5,12H2,(H,13,15)(H,14,16)
InChIKeyDKFWVGLDAIFYFS-UHFFFAOYSA-N
XLogP0.57
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-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-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide (CID 106381193) is 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide is NC1CCCCC1C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is DKFWVGLDAIFYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c12-9-4-2-1-3-8(9)10(15)13-5-7-6-17-11(16)14-7/h6,8-9H,1-5,12H2,(H,13,15)(H,14,16).
What are the key properties of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide?
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 106381193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).