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

C12H20N4O2S2 — CID 103349612

IUPAC4-cyclopropylsulfonyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCN1CCC(CNc2snc(N)c2S(=O)(=O)C2CC2)C1
InChIInChI=1S/C12H20N4O2S2/c1-16-5-4-8(7-16)6-14-12-10(11(13)15-19-12)20(17,18)9-2-3-9/h8-9,14H,2-7H2,1H3,(H2,13,15)
InChIKeyWXWPTBOAHDNPMJ-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.02
Rot. Bonds5

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

4-cyclopropylsulfonyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103349612) has the molecular formula C12H20N4O2S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103349612
Molecular FormulaC12H20N4O2S2
Molecular Weight316.45 g/mol
Exact Mass316.10
IUPAC Name4-cyclopropylsulfonyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCN1CCC(CNc2snc(N)c2S(=O)(=O)C2CC2)C1
InChIInChI=1S/C12H20N4O2S2/c1-16-5-4-8(7-16)6-14-12-10(11(13)15-19-12)20(17,18)9-2-3-9/h8-9,14H,2-7H2,1H3,(H2,13,15)
InChIKeyWXWPTBOAHDNPMJ-UHFFFAOYSA-N
XLogP1.02
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.02
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-methylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine (CID 103349612) is 4-cyclopropylsulfonyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine is CN1CCC(CNc2snc(N)c2S(=O)(=O)C2CC2)C1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is WXWPTBOAHDNPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S2/c1-16-5-4-8(7-16)6-14-12-10(11(13)15-19-12)20(17,18)9-2-3-9/h8-9,14H,2-7H2,1H3,(H2,13,15).
What are the key properties of 4-cyclopropylsulfonyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 316.45 g/mol, XLogP of 1.02, 5 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-methylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).