4-cyclopropylsulfonyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine

C12H19N3O2S2 — CID 103348825

IUPAC4-cyclopropylsulfonyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine
SMILESCC1CN(c2snc(N)c2S(=O)(=O)C2CC2)CC1C
InChIInChI=1S/C12H19N3O2S2/c1-7-5-15(6-8(7)2)12-10(11(13)14-18-12)19(16,17)9-3-4-9/h7-9H,3-6H2,1-2H3,(H2,13,14)
InChIKeyABEVKHWUFCIDFV-UHFFFAOYSA-N
MW301.44 g/mol
LogP1.75
Rot. Bonds3

About 4-cyclopropylsulfonyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine

4-cyclopropylsulfonyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine (PubChem CID 103348825) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine
PubChem CID103348825
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC Name4-cyclopropylsulfonyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine
SMILESCC1CN(c2snc(N)c2S(=O)(=O)C2CC2)CC1C
InChIInChI=1S/C12H19N3O2S2/c1-7-5-15(6-8(7)2)12-10(11(13)14-18-12)19(16,17)9-3-4-9/h7-9H,3-6H2,1-2H3,(H2,13,14)
InChIKeyABEVKHWUFCIDFV-UHFFFAOYSA-N
XLogP1.75
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopropylsulfonyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349059
4-cyclopropylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349074
4-cyclopropylsulfonyl-5-N-ethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349076
4-cyclopropylsulfonyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349080
4-cyclopropylsulfonyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103349466
4-cyclopropylsulfonyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103349847
5-N-ethyl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360710
5-N-propyl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360730
5-N-methyl-4-propylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103363226
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-(4-methylpentyl)-1,2-thiazole-3,5-diamine
CID 103348853

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
The IUPAC name of 4-cyclopropylsulfonyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine (CID 103348825) is 4-cyclopropylsulfonyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine is CC1CN(c2snc(N)c2S(=O)(=O)C2CC2)CC1C.
What is the InChIKey of 4-cyclopropylsulfonyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
The InChIKey is ABEVKHWUFCIDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-7-5-15(6-8(7)2)12-10(11(13)14-18-12)19(16,17)9-3-4-9/h7-9H,3-6H2,1-2H3,(H2,13,14).
What are the key properties of 4-cyclopropylsulfonyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
4-cyclopropylsulfonyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine has a molecular weight of 301.44 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103348825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).