4-ethylsulfonyl-5-N-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine

C13H23N3O2S2 — CID 103360829

IUPAC4-ethylsulfonyl-5-N-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1N(C)C1CCCC(C)C1
InChIInChI=1S/C13H23N3O2S2/c1-4-20(17,18)11-12(14)15-19-13(11)16(3)10-7-5-6-9(2)8-10/h9-10H,4-8H2,1-3H3,(H2,14,15)
InChIKeyKLMGQFNZBBBNMN-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.53
Rot. Bonds4

About 4-ethylsulfonyl-5-N-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine

4-ethylsulfonyl-5-N-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360829) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 4-ethylsulfonyl-5-N-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethylsulfonyl-5-N-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine
PubChem CID103360829
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC Name4-ethylsulfonyl-5-N-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1N(C)C1CCCC(C)C1
InChIInChI=1S/C13H23N3O2S2/c1-4-20(17,18)11-12(14)15-19-13(11)16(3)10-7-5-6-9(2)8-10/h9-10H,4-8H2,1-3H3,(H2,14,15)
InChIKeyKLMGQFNZBBBNMN-UHFFFAOYSA-N
XLogP2.53
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103362141
5-N-ethyl-4-ethylsulfonyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103360778
2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol
CID 103360672
5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103362232
4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine
CID 103360963
5-N-[(5-chlorothiophen-2-yl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103360768
5-N-(3-ethylcyclohexyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359765
4-ethylsulfonyl-5-N-[(4-methylcyclohexyl)methyl]-1,2-thiazole-3,5-diamine
CID 103361172
3-[[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-methylamino]methyl]cyclobutan-1-ol
CID 103363278
5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103360972
5-N-[(4-bromophenyl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103361892
5-N-methyl-5-N-propan-2-yl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103362189

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-5-N-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethylsulfonyl-5-N-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine (CID 103360829) is 4-ethylsulfonyl-5-N-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethylsulfonyl-5-N-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethylsulfonyl-5-N-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine is CCS(=O)(=O)c1c(N)nsc1N(C)C1CCCC(C)C1.
What is the InChIKey of 4-ethylsulfonyl-5-N-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine?
The InChIKey is KLMGQFNZBBBNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-4-20(17,18)11-12(14)15-19-13(11)16(3)10-7-5-6-9(2)8-10/h9-10H,4-8H2,1-3H3,(H2,14,15).
What are the key properties of 4-ethylsulfonyl-5-N-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine?
4-ethylsulfonyl-5-N-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine has a molecular weight of 317.48 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-5-N-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).