2-[(3-amino-4-methyl-1,2-thiazol-5-yl)-cyclohexylamino]ethanol

C12H21N3OS — CID 103361420

IUPAC2-[(3-amino-4-methyl-1,2-thiazol-5-yl)-cyclohexylamino]ethanol
SMILESCc1c(N)nsc1N(CCO)C1CCCCC1
InChIInChI=1S/C12H21N3OS/c1-9-11(13)14-17-12(9)15(7-8-16)10-5-3-2-4-6-10/h10,16H,2-8H2,1H3,(H2,13,14)
InChIKeyQQXGIDDDBJVILM-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.17
Rot. Bonds4

About 2-[(3-amino-4-methyl-1,2-thiazol-5-yl)-cyclohexylamino]ethanol

2-[(3-amino-4-methyl-1,2-thiazol-5-yl)-cyclohexylamino]ethanol (PubChem CID 103361420) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-[(3-amino-4-methyl-1,2-thiazol-5-yl)-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-4-methyl-1,2-thiazol-5-yl)-cyclohexylamino]ethanol
PubChem CID103361420
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-[(3-amino-4-methyl-1,2-thiazol-5-yl)-cyclohexylamino]ethanol
SMILESCc1c(N)nsc1N(CCO)C1CCCCC1
InChIInChI=1S/C12H21N3OS/c1-9-11(13)14-17-12(9)15(7-8-16)10-5-3-2-4-6-10/h10,16H,2-8H2,1H3,(H2,13,14)
InChIKeyQQXGIDDDBJVILM-UHFFFAOYSA-N
XLogP2.17
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3-amino-4-methyl-1,2-thiazol-5-yl)-cyclohexylamino]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

5-N-butyl-5-N-cyclopropyl-4-methyl-1,2-thiazole-3,5-diamine
CID 103360824
5-N-cyclopropyl-4-methyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103361295
5-N-cyclopentyl-5-N-(3-methylbutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103383435
2-[(4-amino-1,3-dimethylpyrazol-5-yl)-cyclohexylamino]ethanol
CID 54993676
2-[cyclobutyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 102675228
5-N-(cyclobutylmethyl)-5-N-ethyl-4-methyl-1,2-thiazole-3,5-diamine
CID 107403290
2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclohexylamino]ethanol
CID 114765171
2-[cyclopentyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65275448
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopentylamino]ethanol
CID 65275447
2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-cyclopentylamino]ethanol
CID 66011474
2-[(5-amino-3-pyridinyl)-cyclohexylamino]ethanol
CID 104533748
2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol
CID 80810818

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methyl-1,2-thiazol-5-yl)-cyclohexylamino]ethanol?
The IUPAC name of 2-[(3-amino-4-methyl-1,2-thiazol-5-yl)-cyclohexylamino]ethanol (CID 103361420) is 2-[(3-amino-4-methyl-1,2-thiazol-5-yl)-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[(3-amino-4-methyl-1,2-thiazol-5-yl)-cyclohexylamino]ethanol?
The canonical SMILES for 2-[(3-amino-4-methyl-1,2-thiazol-5-yl)-cyclohexylamino]ethanol is Cc1c(N)nsc1N(CCO)C1CCCCC1.
What is the InChIKey of 2-[(3-amino-4-methyl-1,2-thiazol-5-yl)-cyclohexylamino]ethanol?
The InChIKey is QQXGIDDDBJVILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9-11(13)14-17-12(9)15(7-8-16)10-5-3-2-4-6-10/h10,16H,2-8H2,1H3,(H2,13,14).
What are the key properties of 2-[(3-amino-4-methyl-1,2-thiazol-5-yl)-cyclohexylamino]ethanol?
2-[(3-amino-4-methyl-1,2-thiazol-5-yl)-cyclohexylamino]ethanol has a molecular weight of 255.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methyl-1,2-thiazol-5-yl)-cyclohexylamino]ethanol is sourced from PubChem (CID 103361420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).