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

C12H21N3S — CID 103359759

IUPAC5-N-(3,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NC1CCC(C)C(C)C1
InChIInChI=1S/C12H21N3S/c1-7-4-5-10(6-8(7)2)14-12-9(3)11(13)15-16-12/h7-8,10,14H,4-6H2,1-3H3,(H2,13,15)
InChIKeyQQBPSGDJGULSEV-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.27
Rot. Bonds2

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

5-N-(3,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103359759) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 5-N-(3,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID103359759
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name5-N-(3,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NC1CCC(C)C(C)C1
InChIInChI=1S/C12H21N3S/c1-7-4-5-10(6-8(7)2)14-12-9(3)11(13)15-16-12/h7-8,10,14H,4-6H2,1-3H3,(H2,13,15)
InChIKeyQQBPSGDJGULSEV-UHFFFAOYSA-N
XLogP3.27
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(3,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine (CID 103359759) is 5-N-(3,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(3,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NC1CCC(C)C(C)C1.
What is the InChIKey of 5-N-(3,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is QQBPSGDJGULSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-7-4-5-10(6-8(7)2)14-12-9(3)11(13)15-16-12/h7-8,10,14H,4-6H2,1-3H3,(H2,13,15).
What are the key properties of 5-N-(3,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine?
5-N-(3,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 239.39 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).