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

C14H25N3S — CID 115088031

IUPAC3-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
SMILESCC(C)N1CCC(Cc2nc(CCCN)cs2)C1
InChIInChI=1S/C14H25N3S/c1-11(2)17-7-5-12(9-17)8-14-16-13(10-18-14)4-3-6-15/h10-12H,3-9,15H2,1-2H3
InChIKeyRSZUNSAUPREBDJ-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.31
Rot. Bonds6

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

3-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine (PubChem CID 115088031) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 3-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
PubChem CID115088031
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name3-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
SMILESCC(C)N1CCC(Cc2nc(CCCN)cs2)C1
InChIInChI=1S/C14H25N3S/c1-11(2)17-7-5-12(9-17)8-14-16-13(10-18-14)4-3-6-15/h10-12H,3-9,15H2,1-2H3
InChIKeyRSZUNSAUPREBDJ-UHFFFAOYSA-N
XLogP2.31
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]ethanol
CID 115088933
N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine
CID 115089019
3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088024
N-methyl-3-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115088029
[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 115087977
2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115082387
2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115090076
[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115087908
[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine
CID 115082349
3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088447
2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088155
1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine
CID 115088171

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine?
The IUPAC name of 3-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine (CID 115088031) is 3-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine is CC(C)N1CCC(Cc2nc(CCCN)cs2)C1.
What is the InChIKey of 3-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine?
The InChIKey is RSZUNSAUPREBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-11(2)17-7-5-12(9-17)8-14-16-13(10-18-14)4-3-6-15/h10-12H,3-9,15H2,1-2H3.
What are the key properties of 3-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine?
3-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 2.31, 6 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-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine is sourced from PubChem (CID 115088031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).