5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine

C13H24N4S — CID 103359418

IUPAC5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine
SMILESCC1CCCC(CNc2cc(N)ns2)(N(C)C)C1
InChIInChI=1S/C13H24N4S/c1-10-5-4-6-13(8-10,17(2)3)9-15-12-7-11(14)16-18-12/h7,10,15H,4-6,8-9H2,1-3H3,(H2,14,16)
InChIKeyHYFBNCPFBOQQHR-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.65
Rot. Bonds4

About 5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine

5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103359418) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine
PubChem CID103359418
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine
SMILESCC1CCCC(CNc2cc(N)ns2)(N(C)C)C1
InChIInChI=1S/C13H24N4S/c1-10-5-4-6-13(8-10,17(2)3)9-15-12-7-11(14)16-18-12/h7,10,15H,4-6,8-9H2,1-3H3,(H2,14,16)
InChIKeyHYFBNCPFBOQQHR-UHFFFAOYSA-N
XLogP2.65
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103359195
5-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103359232
5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine
CID 103359312
5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103359379
5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359414
5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 103359416
5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103359427
5-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2-thiazole-3,5-diamine
CID 103359440
5-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103359447
5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine
CID 103359582
5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103359641

Frequently Asked Questions

What is the IUPAC name of 5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine (CID 103359418) is 5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine is CC1CCCC(CNc2cc(N)ns2)(N(C)C)C1.
What is the InChIKey of 5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is HYFBNCPFBOQQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-10-5-4-6-13(8-10,17(2)3)9-15-12-7-11(14)16-18-12/h7,10,15H,4-6,8-9H2,1-3H3,(H2,14,16).
What are the key properties of 5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine?
5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 268.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).