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

C13H23N3S — CID 115087714

IUPAC2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-4-yl]propan-1-amine
SMILESCC(CN)c1csc(C2CCN(C(C)C)C2)n1
InChIInChI=1S/C13H23N3S/c1-9(2)16-5-4-11(7-16)13-15-12(8-17-13)10(3)6-14/h8-11H,4-7,14H2,1-3H3
InChIKeySUJMMIRIQAWLRJ-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.40
Rot. Bonds4

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

2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-4-yl]propan-1-amine (PubChem CID 115087714) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-4-yl]propan-1-amine
PubChem CID115087714
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-4-yl]propan-1-amine
SMILESCC(CN)c1csc(C2CCN(C(C)C)C2)n1
InChIInChI=1S/C13H23N3S/c1-9(2)16-5-4-11(7-16)13-15-12(8-17-13)10(3)6-14/h8-11H,4-7,14H2,1-3H3
InChIKeySUJMMIRIQAWLRJ-UHFFFAOYSA-N
XLogP2.40
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanamine
CID 115087846
3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine
CID 116891409
4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole
CID 58547619
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine
CID 115089816
3-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891384
4-propan-2-yl-2-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine
CID 112688094
1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089818
2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-1-amine
CID 115085113
1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine
CID 80609462
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol
CID 115089756
3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 115087902
methyl 2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butanoate
CID 116891451

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-4-yl]propan-1-amine?
The IUPAC name of 2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-4-yl]propan-1-amine (CID 115087714) is 2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-4-yl]propan-1-amine?
The canonical SMILES for 2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-4-yl]propan-1-amine is CC(CN)c1csc(C2CCN(C(C)C)C2)n1.
What is the InChIKey of 2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-4-yl]propan-1-amine?
The InChIKey is SUJMMIRIQAWLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-9(2)16-5-4-11(7-16)13-15-12(8-17-13)10(3)6-14/h8-11H,4-7,14H2,1-3H3.
What are the key properties of 2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-4-yl]propan-1-amine?
2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-4-yl]propan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-4-yl]propan-1-amine is sourced from PubChem (CID 115087714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).