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

C11H19N3S — CID 103359641

IUPAC5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
SMILESCC1(C)CCC(Nc2cc(N)ns2)CC1
InChIInChI=1S/C11H19N3S/c1-11(2)5-3-8(4-6-11)13-10-7-9(12)14-15-10/h7-8,13H,3-6H2,1-2H3,(H2,12,14)
InChIKeyUZMHAAFBYFFDBP-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.11
Rot. Bonds2

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

5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine (PubChem CID 103359641) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
PubChem CID103359641
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
SMILESCC1(C)CCC(Nc2cc(N)ns2)CC1
InChIInChI=1S/C11H19N3S/c1-11(2)5-3-8(4-6-11)13-10-7-9(12)14-15-10/h7-8,13H,3-6H2,1-2H3,(H2,12,14)
InChIKeyUZMHAAFBYFFDBP-UHFFFAOYSA-N
XLogP3.11
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359189
5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine
CID 103359312
5-N-(1-ethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103359353
5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine
CID 103359418
5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine
CID 103359582
5-N-heptan-2-yl-1,2-thiazole-3,5-diamine
CID 103359602
5-N-(4,4-dimethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359633
5-N-(4,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103359638
5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine
CID 103359675
5-N-(2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine
CID 103359684
5-N-(3,5-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103359753
5-N-(3,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103359762

Frequently Asked Questions

What is the IUPAC name of 5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine (CID 103359641) is 5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine is CC1(C)CCC(Nc2cc(N)ns2)CC1.
What is the InChIKey of 5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine?
The InChIKey is UZMHAAFBYFFDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-11(2)5-3-8(4-6-11)13-10-7-9(12)14-15-10/h7-8,13H,3-6H2,1-2H3,(H2,12,14).
What are the key properties of 5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine?
5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine has a molecular weight of 225.36 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).