2-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]propan-1-amine

C11H19N3S — CID 115090518

IUPAC2-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCC(CN)c1cnc(C2CCCN2C)s1
InChIInChI=1S/C11H19N3S/c1-8(6-12)10-7-13-11(15-10)9-4-3-5-14(9)2/h7-9H,3-6,12H2,1-2H3
InChIKeyXTNFUWFHOIZZMI-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.97
Rot. Bonds3

About 2-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]propan-1-amine

2-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 115090518) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID115090518
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCC(CN)c1cnc(C2CCCN2C)s1
InChIInChI=1S/C11H19N3S/c1-8(6-12)10-7-13-11(15-10)9-4-3-5-14(9)2/h7-9H,3-6,12H2,1-2H3
InChIKeyXTNFUWFHOIZZMI-UHFFFAOYSA-N
XLogP1.97
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115089931
2-[2-(thian-3-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090378
2-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090515
N-methyl-1-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]methanamine
CID 115090538
1-[2-(1-ethylpiperidin-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115090687
2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115090076
1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazol-5-yl]ethanol
CID 115090612
2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-1-ol
CID 115090387
1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 112681621
1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol
CID 115090753
[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea
CID 149435675
1-[5-(1-methylpyrrolidin-2-yl)-1H-imidazol-2-yl]ethanamine
CID 115019985

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 2-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]propan-1-amine (CID 115090518) is 2-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]propan-1-amine is CC(CN)c1cnc(C2CCCN2C)s1.
What is the InChIKey of 2-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is XTNFUWFHOIZZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8(6-12)10-7-13-11(15-10)9-4-3-5-14(9)2/h7-9H,3-6,12H2,1-2H3.
What are the key properties of 2-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]propan-1-amine?
2-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 115090518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).