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

C12H21N3S — CID 103359769

IUPAC5-N-(3-ethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCCC1CCCC(Nc2snc(N)c2C)C1
InChIInChI=1S/C12H21N3S/c1-3-9-5-4-6-10(7-9)14-12-8(2)11(13)15-16-12/h9-10,14H,3-7H2,1-2H3,(H2,13,15)
InChIKeyHDNOGFBRYHZOBO-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.41
Rot. Bonds3

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

5-N-(3-ethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103359769) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 5-N-(3-ethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-ethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID103359769
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name5-N-(3-ethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCCC1CCCC(Nc2snc(N)c2C)C1
InChIInChI=1S/C12H21N3S/c1-3-9-5-4-6-10(7-9)14-12-8(2)11(13)15-16-12/h9-10,14H,3-7H2,1-2H3,(H2,13,15)
InChIKeyHDNOGFBRYHZOBO-UHFFFAOYSA-N
XLogP3.41
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-ethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(3-ethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine (CID 103359769) is 5-N-(3-ethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3-ethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(3-ethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine is CCC1CCCC(Nc2snc(N)c2C)C1.
What is the InChIKey of 5-N-(3-ethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is HDNOGFBRYHZOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-9-5-4-6-10(7-9)14-12-8(2)11(13)15-16-12/h9-10,14H,3-7H2,1-2H3,(H2,13,15).
What are the key properties of 5-N-(3-ethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine?
5-N-(3-ethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 239.39 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-ethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).