5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine

C12H21N3OS — CID 103362232

IUPAC5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1N(C)C1CCCCC1
InChIInChI=1S/C12H21N3OS/c1-3-16-10-11(13)14-17-12(10)15(2)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H2,13,14)
InChIKeyIMHHSCZVKDWCIV-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.89
Rot. Bonds4

About 5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine

5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103362232) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
PubChem CID103362232
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1N(C)C1CCCCC1
InChIInChI=1S/C12H21N3OS/c1-3-16-10-11(13)14-17-12(10)15(2)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H2,13,14)
InChIKeyIMHHSCZVKDWCIV-UHFFFAOYSA-N
XLogP2.89
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine 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

4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103362242
5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103365691
3-amino-5-[cyclohexyl(methyl)amino]-1,2-thiazole-4-carbonitrile
CID 103381202
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol
CID 103360625
5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103362406
4-ethoxy-5-N-(2-ethoxyethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103364467
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol
CID 103365425
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-N,N-diethylacetamide
CID 103361605
3-amino-5-[cyclohexyl(methyl)amino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103381201
4-ethylsulfonyl-5-N-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103360829
5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine
CID 103366005
4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103361504

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine (CID 103362232) is 5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1N(C)C1CCCCC1.
What is the InChIKey of 5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is IMHHSCZVKDWCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-3-16-10-11(13)14-17-12(10)15(2)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine?
5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 255.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103362232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).