4-cyclopropylsulfonyl-5-N-(3-ethylcyclohexyl)-1,2-thiazole-3,5-diamine

C14H23N3O2S2 — CID 103348929

IUPAC4-cyclopropylsulfonyl-5-N-(3-ethylcyclohexyl)-1,2-thiazole-3,5-diamine
SMILESCCC1CCCC(Nc2snc(N)c2S(=O)(=O)C2CC2)C1
InChIInChI=1S/C14H23N3O2S2/c1-2-9-4-3-5-10(8-9)16-14-12(13(15)17-20-14)21(18,19)11-6-7-11/h9-11,16H,2-8H2,1H3,(H2,15,17)
InChIKeyLOUHMZPJYWYXIB-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.04
Rot. Bonds5

About 4-cyclopropylsulfonyl-5-N-(3-ethylcyclohexyl)-1,2-thiazole-3,5-diamine

4-cyclopropylsulfonyl-5-N-(3-ethylcyclohexyl)-1,2-thiazole-3,5-diamine (PubChem CID 103348929) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-(3-ethylcyclohexyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-(3-ethylcyclohexyl)-1,2-thiazole-3,5-diamine
PubChem CID103348929
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name4-cyclopropylsulfonyl-5-N-(3-ethylcyclohexyl)-1,2-thiazole-3,5-diamine
SMILESCCC1CCCC(Nc2snc(N)c2S(=O)(=O)C2CC2)C1
InChIInChI=1S/C14H23N3O2S2/c1-2-9-4-3-5-10(8-9)16-14-12(13(15)17-20-14)21(18,19)11-6-7-11/h9-11,16H,2-8H2,1H3,(H2,15,17)
InChIKeyLOUHMZPJYWYXIB-UHFFFAOYSA-N
XLogP3.04
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopropylsulfonyl-5-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103348847
4-cyclopropylsulfonyl-5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine
CID 103348853
4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103348861
4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103348863
4-cyclopropylsulfonyl-5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103348869
4-cyclopropylsulfonyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine
CID 103348893
4-cyclopropylsulfonyl-5-N-heptan-2-yl-1,2-thiazole-3,5-diamine
CID 103348897
4-cyclopropylsulfonyl-5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103348905
5-N-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
CID 103348913
4-cyclopropylsulfonyl-5-N-(2,3-dimethylbutyl)-1,2-thiazole-3,5-diamine
CID 103348921
4-cyclopropylsulfonyl-5-N-(3,5-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103348925
4-cyclopropylsulfonyl-5-N-(3,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103348927

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-(3-ethylcyclohexyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-(3-ethylcyclohexyl)-1,2-thiazole-3,5-diamine (CID 103348929) is 4-cyclopropylsulfonyl-5-N-(3-ethylcyclohexyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-(3-ethylcyclohexyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-(3-ethylcyclohexyl)-1,2-thiazole-3,5-diamine is CCC1CCCC(Nc2snc(N)c2S(=O)(=O)C2CC2)C1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-(3-ethylcyclohexyl)-1,2-thiazole-3,5-diamine?
The InChIKey is LOUHMZPJYWYXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-2-9-4-3-5-10(8-9)16-14-12(13(15)17-20-14)21(18,19)11-6-7-11/h9-11,16H,2-8H2,1H3,(H2,15,17).
What are the key properties of 4-cyclopropylsulfonyl-5-N-(3-ethylcyclohexyl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-(3-ethylcyclohexyl)-1,2-thiazole-3,5-diamine has a molecular weight of 329.49 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-(3-ethylcyclohexyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103348929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).