N-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine

C9H15N3S — CID 115300939

IUPACN-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
SMILESCNC1CCN(c2nc(C)cs2)C1
InChIInChI=1S/C9H15N3S/c1-7-6-13-9(11-7)12-4-3-8(5-12)10-2/h6,8,10H,3-5H2,1-2H3
InChIKeyQEKOGKFSZZIOEO-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.25
Rot. Bonds2

About N-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine

N-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine (PubChem CID 115300939) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
PubChem CID115300939
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
SMILESCNC1CCN(c2nc(C)cs2)C1
InChIInChI=1S/C9H15N3S/c1-7-6-13-9(11-7)12-4-3-8(5-12)10-2/h6,8,10H,3-5H2,1-2H3
InChIKeyQEKOGKFSZZIOEO-UHFFFAOYSA-N
XLogP1.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-3-yl]acetamide
CID 171335280
[1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine
CID 24698861
3-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]prop-2-ynamide
CID 66863612
4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole
CID 62480503
2-[4-(bromomethyl)piperidin-1-yl]-4-methyl-1,3-thiazole
CID 80668941
1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbaldehyde
CID 62663442
1-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethanol
CID 106837283
(3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30078408
1-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-6-ol
CID 130542438
ethane;4-methyl-2-piperazin-1-yl-1,3-thiazole
CID 143994298
2-(3-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole
CID 82673560
(5R,6S)-6-tert-butyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidin-2-one
CID 167834988

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine (CID 115300939) is N-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine is CNC1CCN(c2nc(C)cs2)C1.
What is the InChIKey of N-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine?
The InChIKey is QEKOGKFSZZIOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-6-13-9(11-7)12-4-3-8(5-12)10-2/h6,8,10H,3-5H2,1-2H3.
What are the key properties of N-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine?
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine has a molecular weight of 197.31 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 115300939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).