2-pyrrolidin-1-yl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine

C11H19N3S — CID 81422867

IUPAC2-pyrrolidin-1-yl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
SMILESCC(CNCc1cncs1)N1CCCC1
InChIInChI=1S/C11H19N3S/c1-10(14-4-2-3-5-14)6-12-7-11-8-13-9-15-11/h8-10,12H,2-7H2,1H3
InChIKeyKCLRKHRHVCQYTF-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.72
Rot. Bonds5

About 2-pyrrolidin-1-yl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine

2-pyrrolidin-1-yl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine (PubChem CID 81422867) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
PubChem CID81422867
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-pyrrolidin-1-yl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
SMILESCC(CNCc1cncs1)N1CCCC1
InChIInChI=1S/C11H19N3S/c1-10(14-4-2-3-5-14)6-12-7-11-8-13-9-15-11/h8-10,12H,2-7H2,1H3
InChIKeyKCLRKHRHVCQYTF-UHFFFAOYSA-N
XLogP1.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-pyrrolidin-1-yl-N-(1,3-thiazol-5-ylmethyl)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

1-[(2-Methyl-1,3-thiazol-5-yl)methyl]piperazine
CID 52319808
Methyl(1,3-thiazol-5-ylmethyl)amine
CID 45121664
Bis((1,3-thiazol-5-yl)methyl)amine trihydrochloride
CID 132344066
N-[(1,3-thiazol-5-yl)methyl]cyclopropanamine hydrochloride
CID 156592108
N-[(1,3-thiazol-5-yl)methyl]cyclopentanamine hydrochloride
CID 167721682
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-ylpropan-2-amine
CID 75517933
(2S)-2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine
CID 100694202
Bis[(1,3-thiazol-5-yl)methyl]amine
CID 104588989
N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 119039424
Cyclopropyl-thiazol-5-ylmethyl-amine
CID 28064153
N-[(1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 62759023
N'-[(2-fluoro-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 70457961

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
The IUPAC name of 2-pyrrolidin-1-yl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine (CID 81422867) is 2-pyrrolidin-1-yl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 2-pyrrolidin-1-yl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine is CC(CNCc1cncs1)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
The InChIKey is KCLRKHRHVCQYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-10(14-4-2-3-5-14)6-12-7-11-8-13-9-15-11/h8-10,12H,2-7H2,1H3.
What are the key properties of 2-pyrrolidin-1-yl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
2-pyrrolidin-1-yl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 81422867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).