4-cyclopropylsulfonyl-5-N-(2-methylcyclopentyl)-1,2-thiazole-3,5-diamine

C12H19N3O2S2 — CID 103349150

IUPAC4-cyclopropylsulfonyl-5-N-(2-methylcyclopentyl)-1,2-thiazole-3,5-diamine
SMILESCC1CCCC1Nc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C12H19N3O2S2/c1-7-3-2-4-9(7)14-12-10(11(13)15-18-12)19(16,17)8-5-6-8/h7-9,14H,2-6H2,1H3,(H2,13,15)
InChIKeyAIDAFBAKNGBSGA-UHFFFAOYSA-N
MW301.44 g/mol
LogP2.26
Rot. Bonds4

About 4-cyclopropylsulfonyl-5-N-(2-methylcyclopentyl)-1,2-thiazole-3,5-diamine

4-cyclopropylsulfonyl-5-N-(2-methylcyclopentyl)-1,2-thiazole-3,5-diamine (PubChem CID 103349150) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-(2-methylcyclopentyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-(2-methylcyclopentyl)-1,2-thiazole-3,5-diamine
PubChem CID103349150
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC Name4-cyclopropylsulfonyl-5-N-(2-methylcyclopentyl)-1,2-thiazole-3,5-diamine
SMILESCC1CCCC1Nc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C12H19N3O2S2/c1-7-3-2-4-9(7)14-12-10(11(13)15-18-12)19(16,17)8-5-6-8/h7-9,14H,2-6H2,1H3,(H2,13,15)
InChIKeyAIDAFBAKNGBSGA-UHFFFAOYSA-N
XLogP2.26
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopropylsulfonyl-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
CID 103349737
4-cyclopropylsulfonyl-5-N-(3-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine
CID 103348843
4-cyclopropylsulfonyl-5-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103348847
4-cyclopropylsulfonyl-5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine
CID 103348849
4-cyclopropylsulfonyl-5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine
CID 103348853
4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103348861
4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103348863
4-cyclopropylsulfonyl-5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103348869
4-cyclopropylsulfonyl-5-N-(1-methylpyrrolidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103348891
4-cyclopropylsulfonyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine
CID 103348893
4-cyclopropylsulfonyl-5-N-heptan-2-yl-1,2-thiazole-3,5-diamine
CID 103348897
4-cyclopropylsulfonyl-5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103348905

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-(2-methylcyclopentyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-(2-methylcyclopentyl)-1,2-thiazole-3,5-diamine (CID 103349150) is 4-cyclopropylsulfonyl-5-N-(2-methylcyclopentyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-(2-methylcyclopentyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-(2-methylcyclopentyl)-1,2-thiazole-3,5-diamine is CC1CCCC1Nc1snc(N)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-(2-methylcyclopentyl)-1,2-thiazole-3,5-diamine?
The InChIKey is AIDAFBAKNGBSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-7-3-2-4-9(7)14-12-10(11(13)15-18-12)19(16,17)8-5-6-8/h7-9,14H,2-6H2,1H3,(H2,13,15).
What are the key properties of 4-cyclopropylsulfonyl-5-N-(2-methylcyclopentyl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-(2-methylcyclopentyl)-1,2-thiazole-3,5-diamine has a molecular weight of 301.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-(2-methylcyclopentyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).