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

C11H19N3S2 — CID 103359784

IUPAC5-N-(2,3-dimethylcyclopentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NC1CCC(C)C1C
InChIInChI=1S/C11H19N3S2/c1-6-4-5-8(7(6)2)13-11-9(15-3)10(12)14-16-11/h6-8,13H,4-5H2,1-3H3,(H2,12,14)
InChIKeyALEZIYGDMPQKEG-UHFFFAOYSA-N
MW257.43 g/mol
LogP3.29
Rot. Bonds3

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

5-N-(2,3-dimethylcyclopentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (PubChem CID 103359784) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is 5-N-(2,3-dimethylcyclopentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,3-dimethylcyclopentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
PubChem CID103359784
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC Name5-N-(2,3-dimethylcyclopentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NC1CCC(C)C1C
InChIInChI=1S/C11H19N3S2/c1-6-4-5-8(7(6)2)13-11-9(15-3)10(12)14-16-11/h6-8,13H,4-5H2,1-3H3,(H2,12,14)
InChIKeyALEZIYGDMPQKEG-UHFFFAOYSA-N
XLogP3.29
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropylsulfonyl-5-N-(2,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine
CID 103348933
4-cyclopropylsulfonyl-5-N-(3-ethyl-2-methylcyclopentyl)-1,2-thiazole-3,5-diamine
CID 103348935
4-cyclopropylsulfonyl-5-N-(2-methylcyclopentyl)-1,2-thiazole-3,5-diamine
CID 103349150
5-N-(1-cyclopentylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
CID 103349332
4-cyclopropylsulfonyl-5-N-(3-methylcyclopentyl)-1,2-thiazole-3,5-diamine
CID 103349817
5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359184
5-N-(4-methylpentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359304
4-methylsulfanyl-5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359390
5-N-(3-methylpentan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359574
5-N-heptan-2-yl-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359595
5-N-(4,4-dimethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359633
4-methylsulfanyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine
CID 103359671

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,3-dimethylcyclopentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2,3-dimethylcyclopentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (CID 103359784) is 5-N-(2,3-dimethylcyclopentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2,3-dimethylcyclopentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2,3-dimethylcyclopentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1NC1CCC(C)C1C.
What is the InChIKey of 5-N-(2,3-dimethylcyclopentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The InChIKey is ALEZIYGDMPQKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-6-4-5-8(7(6)2)13-11-9(15-3)10(12)14-16-11/h6-8,13H,4-5H2,1-3H3,(H2,12,14).
What are the key properties of 5-N-(2,3-dimethylcyclopentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
5-N-(2,3-dimethylcyclopentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine has a molecular weight of 257.43 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,3-dimethylcyclopentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).