1-[[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol

C14H25N3O2S — CID 103359858

IUPAC1-[[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNc2snc(N)c2OC(C)C)CC1
InChIInChI=1S/C14H25N3O2S/c1-9(2)19-11-12(15)17-20-13(11)16-8-14(18)6-4-10(3)5-7-14/h9-10,16,18H,4-8H2,1-3H3,(H2,15,17)
InChIKeyLWEYWVKOWKGZJT-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.87
Rot. Bonds5

About 1-[[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol

1-[[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 103359858) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-[[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID103359858
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name1-[[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNc2snc(N)c2OC(C)C)CC1
InChIInChI=1S/C14H25N3O2S/c1-9(2)19-11-12(15)17-20-13(11)16-8-14(18)6-4-10(3)5-7-14/h9-10,16,18H,4-8H2,1-3H3,(H2,15,17)
InChIKeyLWEYWVKOWKGZJT-UHFFFAOYSA-N
XLogP2.87
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol 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-[[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol (CID 103359858) is 1-[[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNc2snc(N)c2OC(C)C)CC1.
What is the InChIKey of 1-[[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is LWEYWVKOWKGZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-9(2)19-11-12(15)17-20-13(11)16-8-14(18)6-4-10(3)5-7-14/h9-10,16,18H,4-8H2,1-3H3,(H2,15,17).
What are the key properties of 1-[[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol?
1-[[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 299.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 103359858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).