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

C12H21N3S2 — CID 103359745

IUPAC5-N-(3,5-dimethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NC1CC(C)CC(C)C1
InChIInChI=1S/C12H21N3S2/c1-7-4-8(2)6-9(5-7)14-12-10(16-3)11(13)15-17-12/h7-9,14H,4-6H2,1-3H3,(H2,13,15)
InChIKeyHKGFSWQTCIZWSR-UHFFFAOYSA-N
MW271.45 g/mol
LogP3.68
Rot. Bonds3

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

5-N-(3,5-dimethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (PubChem CID 103359745) has the molecular formula C12H21N3S2 and a molecular weight of 271.45 g/mol. Its IUPAC name is 5-N-(3,5-dimethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3,5-dimethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
PubChem CID103359745
Molecular FormulaC12H21N3S2
Molecular Weight271.45 g/mol
Exact Mass271.12
IUPAC Name5-N-(3,5-dimethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NC1CC(C)CC(C)C1
InChIInChI=1S/C12H21N3S2/c1-7-4-8(2)6-9(5-7)14-12-10(16-3)11(13)15-17-12/h7-9,14H,4-6H2,1-3H3,(H2,13,15)
InChIKeyHKGFSWQTCIZWSR-UHFFFAOYSA-N
XLogP3.68
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3,5-dimethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(3,5-dimethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (CID 103359745) is 5-N-(3,5-dimethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3,5-dimethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(3,5-dimethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1NC1CC(C)CC(C)C1.
What is the InChIKey of 5-N-(3,5-dimethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The InChIKey is HKGFSWQTCIZWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S2/c1-7-4-8(2)6-9(5-7)14-12-10(16-3)11(13)15-17-12/h7-9,14H,4-6H2,1-3H3,(H2,13,15).
What are the key properties of 5-N-(3,5-dimethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
5-N-(3,5-dimethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine has a molecular weight of 271.45 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,5-dimethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).