3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]propan-1-amine

C13H23N3S — CID 115088447

IUPAC3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]propan-1-amine
SMILESCC(C)N1CCCC1c1nc(CCCN)cs1
InChIInChI=1S/C13H23N3S/c1-10(2)16-8-4-6-12(16)13-15-11(9-17-13)5-3-7-14/h9-10,12H,3-8,14H2,1-2H3
InChIKeyXXFFHTGACILXSC-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.58
Rot. Bonds5

About 3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]propan-1-amine

3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]propan-1-amine (PubChem CID 115088447) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]propan-1-amine
PubChem CID115088447
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]propan-1-amine
SMILESCC(C)N1CCCC1c1nc(CCCN)cs1
InChIInChI=1S/C13H23N3S/c1-10(2)16-8-4-6-12(16)13-15-11(9-17-13)5-3-7-14/h9-10,12H,3-8,14H2,1-2H3
InChIKeyXXFFHTGACILXSC-UHFFFAOYSA-N
XLogP2.58
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]ethanol
CID 115088348
2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazole-4-carbaldehyde
CID 115088355
3-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088318
3-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115088031
3-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115028049
[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanol
CID 115088342
2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanol
CID 115088634
2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole
CID 67986575
ethyl 2-[(2R)-1-[(2R)-pentan-2-yl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 124625189
4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 83886105
4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole
CID 70641697
[5-(1-propan-2-ylpiperidin-2-yl)-1,2-oxazol-3-yl]methanamine
CID 115094077

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]propan-1-amine?
The IUPAC name of 3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]propan-1-amine (CID 115088447) is 3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]propan-1-amine is CC(C)N1CCCC1c1nc(CCCN)cs1.
What is the InChIKey of 3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]propan-1-amine?
The InChIKey is XXFFHTGACILXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10(2)16-8-4-6-12(16)13-15-11(9-17-13)5-3-7-14/h9-10,12H,3-8,14H2,1-2H3.
What are the key properties of 3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]propan-1-amine?
3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]propan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]propan-1-amine is sourced from PubChem (CID 115088447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).