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

C12H21N3O2S2 — CID 103359090

IUPAC5-(3,4-dimethylpyrrolidin-1-yl)-4-propylsulfonyl-1,2-thiazol-3-amine
SMILESCCCS(=O)(=O)c1c(N)nsc1N1CC(C)C(C)C1
InChIInChI=1S/C12H21N3O2S2/c1-4-5-19(16,17)10-11(13)14-18-12(10)15-6-8(2)9(3)7-15/h8-9H,4-7H2,1-3H3,(H2,13,14)
InChIKeyGCOUKRAFZANMOB-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.00
Rot. Bonds4

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

5-(3,4-dimethylpyrrolidin-1-yl)-4-propylsulfonyl-1,2-thiazol-3-amine (PubChem CID 103359090) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 5-(3,4-dimethylpyrrolidin-1-yl)-4-propylsulfonyl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(3,4-dimethylpyrrolidin-1-yl)-4-propylsulfonyl-1,2-thiazol-3-amine
PubChem CID103359090
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name5-(3,4-dimethylpyrrolidin-1-yl)-4-propylsulfonyl-1,2-thiazol-3-amine
SMILESCCCS(=O)(=O)c1c(N)nsc1N1CC(C)C(C)C1
InChIInChI=1S/C12H21N3O2S2/c1-4-5-19(16,17)10-11(13)14-18-12(10)15-6-8(2)9(3)7-15/h8-9H,4-7H2,1-3H3,(H2,13,14)
InChIKeyGCOUKRAFZANMOB-UHFFFAOYSA-N
XLogP2.00
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103365086
5-(1,3-dihydroisoindol-2-yl)-4-propylsulfonyl-1,2-thiazol-3-amine
CID 103361947
4-ethylsulfonyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazol-3-amine
CID 103359106
4-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-1,4-diazepan-2-one
CID 103363215
4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103362141
5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103382034
4-ethylsulfonyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine
CID 103365542
4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103360501
4-ethylsulfonyl-5-(3-methoxypiperidin-1-yl)-1,2-thiazol-3-amine
CID 103365873
4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103349855
4-cyclopropylsulfonyl-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,2-thiazol-3-amine
CID 103349903
5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103362220

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylpyrrolidin-1-yl)-4-propylsulfonyl-1,2-thiazol-3-amine?
The IUPAC name of 5-(3,4-dimethylpyrrolidin-1-yl)-4-propylsulfonyl-1,2-thiazol-3-amine (CID 103359090) is 5-(3,4-dimethylpyrrolidin-1-yl)-4-propylsulfonyl-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(3,4-dimethylpyrrolidin-1-yl)-4-propylsulfonyl-1,2-thiazol-3-amine?
The canonical SMILES for 5-(3,4-dimethylpyrrolidin-1-yl)-4-propylsulfonyl-1,2-thiazol-3-amine is CCCS(=O)(=O)c1c(N)nsc1N1CC(C)C(C)C1.
What is the InChIKey of 5-(3,4-dimethylpyrrolidin-1-yl)-4-propylsulfonyl-1,2-thiazol-3-amine?
The InChIKey is GCOUKRAFZANMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-4-5-19(16,17)10-11(13)14-18-12(10)15-6-8(2)9(3)7-15/h8-9H,4-7H2,1-3H3,(H2,13,14).
What are the key properties of 5-(3,4-dimethylpyrrolidin-1-yl)-4-propylsulfonyl-1,2-thiazol-3-amine?
5-(3,4-dimethylpyrrolidin-1-yl)-4-propylsulfonyl-1,2-thiazol-3-amine has a molecular weight of 303.45 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylpyrrolidin-1-yl)-4-propylsulfonyl-1,2-thiazol-3-amine is sourced from PubChem (CID 103359090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).