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

C9H15N3S — CID 103359089

IUPAC5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine
SMILESCC1CN(c2cc(N)ns2)CC1C
InChIInChI=1S/C9H15N3S/c1-6-4-12(5-7(6)2)9-3-8(10)11-13-9/h3,6-7H,4-5H2,1-2H3,(H2,10,11)
InChIKeyJXSPUKBDAHQGBA-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.82
Rot. Bonds1

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

5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine (PubChem CID 103359089) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine
PubChem CID103359089
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine
SMILESCC1CN(c2cc(N)ns2)CC1C
InChIInChI=1S/C9H15N3S/c1-6-4-12(5-7(6)2)9-3-8(10)11-13-9/h3,6-7H,4-5H2,1-2H3,(H2,10,11)
InChIKeyJXSPUKBDAHQGBA-UHFFFAOYSA-N
XLogP1.82
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360598
5-N-ethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360709
5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360729
5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103363225
5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103365695
5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine
CID 113807103
5-[4-(Fluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 164659442
5-Piperidin-1-yl-1,2-thiazol-3-amine
CID 83668920
5-(3,4-Dimethylpyrrolidin-1-yl)-4-methyl-1,2-thiazol-3-amine
CID 103359087
5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine
CID 103359312
5-N-(2,2-dimethylpropyl)-1,2-thiazole-3,5-diamine
CID 103359361
5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359396

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
The IUPAC name of 5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine (CID 103359089) is 5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine is CC1CN(c2cc(N)ns2)CC1C.
What is the InChIKey of 5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
The InChIKey is JXSPUKBDAHQGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6-4-12(5-7(6)2)9-3-8(10)11-13-9/h3,6-7H,4-5H2,1-2H3,(H2,10,11).
What are the key properties of 5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine has a molecular weight of 197.31 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103359089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).