4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine

C9H15N3O2S2 — CID 103360963

IUPAC4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NC1CC1C
InChIInChI=1S/C9H15N3O2S2/c1-3-16(13,14)7-8(10)12-15-9(7)11-6-4-5(6)2/h5-6,11H,3-4H2,1-2H3,(H2,10,12)
InChIKeyJAQVWGSBEYILNQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.34
Rot. Bonds4

About 4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine

4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360963) has the molecular formula C9H15N3O2S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine
PubChem CID103360963
Molecular FormulaC9H15N3O2S2
Molecular Weight261.37 g/mol
Exact Mass261.06
IUPAC Name4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NC1CC1C
InChIInChI=1S/C9H15N3O2S2/c1-3-16(13,14)7-8(10)12-15-9(7)11-6-4-5(6)2/h5-6,11H,3-4H2,1-2H3,(H2,10,12)
InChIKeyJAQVWGSBEYILNQ-UHFFFAOYSA-N
XLogP1.34
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethylsulfonyl-5-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2-thiazole-3,5-diamine
CID 103364621
4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103363369
5-N-(3-ethylcyclohexyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359765
5-N-(1-ethylpiperidin-4-yl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359345
4-ethylsulfonyl-5-N-[(4-methylcyclohexyl)methyl]-1,2-thiazole-3,5-diamine
CID 103361172
3-amino-5-[(2,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103362310
4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103363342
4-ethylsulfonyl-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine
CID 103364864
5-N-(3-cyclopropylpropyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365719
5-N-(3-methylcyclobutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103384326
4-cyclopropylsulfonyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine
CID 103348955
4-ethylsulfonyl-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 107299141

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine (CID 103360963) is 4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine is CCS(=O)(=O)c1c(N)nsc1NC1CC1C.
What is the InChIKey of 4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is JAQVWGSBEYILNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S2/c1-3-16(13,14)7-8(10)12-15-9(7)11-6-4-5(6)2/h5-6,11H,3-4H2,1-2H3,(H2,10,12).
What are the key properties of 4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine?
4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 261.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).