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

C12H21N3S — CID 103359638

IUPAC5-N-(4,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NC1CCC(C)(C)CC1
InChIInChI=1S/C12H21N3S/c1-8-10(13)15-16-11(8)14-9-4-6-12(2,3)7-5-9/h9,14H,4-7H2,1-3H3,(H2,13,15)
InChIKeyFQHWHQSWIAQZGA-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.41
Rot. Bonds2

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

5-N-(4,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103359638) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 5-N-(4,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(4,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID103359638
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name5-N-(4,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NC1CCC(C)(C)CC1
InChIInChI=1S/C12H21N3S/c1-8-10(13)15-16-11(8)14-9-4-6-12(2,3)7-5-9/h9,14H,4-7H2,1-3H3,(H2,13,15)
InChIKeyFQHWHQSWIAQZGA-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359186
4-methyl-5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine
CID 103359310
5-N-(1-ethylpiperidin-4-yl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103359350
5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 103359416
4-methyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine
CID 103359580
5-N-heptan-2-yl-4-methyl-1,2-thiazole-3,5-diamine
CID 103359600
5-N-(4,4-dimethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359633
3-amino-5-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103359636
4-cyclopropyl-5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103359639
5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103359641
5-N-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103359682
5-N-(3,5-dimethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359745

Frequently Asked Questions

What is the IUPAC name of 5-N-(4,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(4,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine (CID 103359638) is 5-N-(4,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(4,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(4,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NC1CCC(C)(C)CC1.
What is the InChIKey of 5-N-(4,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is FQHWHQSWIAQZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-8-10(13)15-16-11(8)14-9-4-6-12(2,3)7-5-9/h9,14H,4-7H2,1-3H3,(H2,13,15).
What are the key properties of 5-N-(4,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine?
5-N-(4,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 239.39 g/mol, XLogP of 3.41, 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)-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).