5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine

C14H26N4S2 — CID 103359414

IUPAC5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C14H26N4S2/c1-10-6-5-7-14(8-10,18(2)3)9-16-13-11(19-4)12(15)17-20-13/h10,16H,5-9H2,1-4H3,(H2,15,17)
InChIKeyCULOZDFQJGFYSF-UHFFFAOYSA-N
MW314.52 g/mol
LogP3.37
Rot. Bonds5

About 5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine

5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine (PubChem CID 103359414) has the molecular formula C14H26N4S2 and a molecular weight of 314.52 g/mol. Its IUPAC name is 5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
PubChem CID103359414
Molecular FormulaC14H26N4S2
Molecular Weight314.52 g/mol
Exact Mass314.16
IUPAC Name5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C14H26N4S2/c1-10-6-5-7-14(8-10,18(2)3)9-16-13-11(19-4)12(15)17-20-13/h10,16H,5-9H2,1-4H3,(H2,15,17)
InChIKeyCULOZDFQJGFYSF-UHFFFAOYSA-N
XLogP3.37
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine (CID 103359414) is 5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1NCC1(N(C)C)CCCC(C)C1.
What is the InChIKey of 5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The InChIKey is CULOZDFQJGFYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S2/c1-10-6-5-7-14(8-10,18(2)3)9-16-13-11(19-4)12(15)17-20-13/h10,16H,5-9H2,1-4H3,(H2,15,17).
What are the key properties of 5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine has a molecular weight of 314.52 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).