4-cyclopropylsulfonyl-5-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine

C13H22N4O2S2 — CID 103349610

IUPAC4-cyclopropylsulfonyl-5-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCCN1CCC(CNc2snc(N)c2S(=O)(=O)C2CC2)C1
InChIInChI=1S/C13H22N4O2S2/c1-2-17-6-5-9(8-17)7-15-13-11(12(14)16-20-13)21(18,19)10-3-4-10/h9-10,15H,2-8H2,1H3,(H2,14,16)
InChIKeyJQWXEPSYMDJSGU-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.42
Rot. Bonds6

About 4-cyclopropylsulfonyl-5-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine

4-cyclopropylsulfonyl-5-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103349610) has the molecular formula C13H22N4O2S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103349610
Molecular FormulaC13H22N4O2S2
Molecular Weight330.48 g/mol
Exact Mass330.12
IUPAC Name4-cyclopropylsulfonyl-5-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCCN1CCC(CNc2snc(N)c2S(=O)(=O)C2CC2)C1
InChIInChI=1S/C13H22N4O2S2/c1-2-17-6-5-9(8-17)7-15-13-11(12(14)16-20-13)21(18,19)10-3-4-10/h9-10,15H,2-8H2,1H3,(H2,14,16)
InChIKeyJQWXEPSYMDJSGU-UHFFFAOYSA-N
XLogP1.42
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-cyclopropylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103349140
4-cyclopropylsulfonyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
CID 103349733
4-cyclopropylsulfonyl-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
CID 103349737
4-propylsulfonyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
CID 103364954
4-cyclopropylsulfonyl-5-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2-thiazole-3,5-diamine
CID 106434260
4-cyclopropylsulfonyl-5-N-(2,2-difluoroethyl)-1,2-thiazole-3,5-diamine
CID 113805277
4-Cyclopropylsulfonyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103348825
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-(oxolan-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103348855

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine (CID 103349610) is 4-cyclopropylsulfonyl-5-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine is CCN1CCC(CNc2snc(N)c2S(=O)(=O)C2CC2)C1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is JQWXEPSYMDJSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S2/c1-2-17-6-5-9(8-17)7-15-13-11(12(14)16-20-13)21(18,19)10-3-4-10/h9-10,15H,2-8H2,1H3,(H2,14,16).
What are the key properties of 4-cyclopropylsulfonyl-5-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 330.48 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).