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

C10H17N3S2 — CID 103359082

IUPAC5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine
SMILESCSc1c(N)nsc1N1CC(C)C(C)C1
InChIInChI=1S/C10H17N3S2/c1-6-4-13(5-7(6)2)10-8(14-3)9(11)12-15-10/h6-7H,4-5H2,1-3H3,(H2,11,12)
InChIKeyYTPPAVUCRSXKOD-UHFFFAOYSA-N
MW243.40 g/mol
LogP2.54
Rot. Bonds2

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

5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine (PubChem CID 103359082) has the molecular formula C10H17N3S2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine
PubChem CID103359082
Molecular FormulaC10H17N3S2
Molecular Weight243.40 g/mol
Exact Mass243.09
IUPAC Name5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine
SMILESCSc1c(N)nsc1N1CC(C)C(C)C1
InChIInChI=1S/C10H17N3S2/c1-6-4-13(5-7(6)2)10-8(14-3)9(11)12-15-10/h6-7H,4-5H2,1-3H3,(H2,11,12)
InChIKeyYTPPAVUCRSXKOD-UHFFFAOYSA-N
XLogP2.54
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-ethyl-4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360701
4-methylsulfanyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360721
5-N-methyl-4-methylsulfanyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103363216
4-methylsulfanyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine
CID 103364106
4-Cyclopropylsulfonyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103348825
4-cyclopropylsulfonyl-5-N-methyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103349406
3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103359084
5-(3,4-Dimethylpyrrolidin-1-yl)-4-methyl-1,2-thiazol-3-amine
CID 103359087
5-(3,4-Dimethylpyrrolidin-1-yl)-4-propylsulfonyl-1,2-thiazol-3-amine
CID 103359090
5-N-(4-methylpentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359304
5-N-(2,2-dimethylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359355
4-methylsulfanyl-5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359390

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine?
The IUPAC name of 5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine (CID 103359082) is 5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine?
The canonical SMILES for 5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine is CSc1c(N)nsc1N1CC(C)C(C)C1.
What is the InChIKey of 5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine?
The InChIKey is YTPPAVUCRSXKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2/c1-6-4-13(5-7(6)2)10-8(14-3)9(11)12-15-10/h6-7H,4-5H2,1-3H3,(H2,11,12).
What are the key properties of 5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine?
5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine has a molecular weight of 243.40 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine is sourced from PubChem (CID 103359082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).