2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

C11H19N3S — CID 78968604

IUPAC2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESCC(CNCc1cscn1)N1CCCC1
InChIInChI=1S/C11H19N3S/c1-10(14-4-2-3-5-14)6-12-7-11-8-15-9-13-11/h8-10,12H,2-7H2,1H3
InChIKeyHAFHHUWDFPBDLM-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.72
Rot. Bonds5

About 2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (PubChem CID 78968604) 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-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
PubChem CID78968604
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESCC(CNCc1cscn1)N1CCCC1
InChIInChI=1S/C11H19N3S/c1-10(14-4-2-3-5-14)6-12-7-11-8-15-9-13-11/h8-10,12H,2-7H2,1H3
InChIKeyHAFHHUWDFPBDLM-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

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Related Compounds

3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 61171195
2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 61222270
2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60696393
2-piperidin-1-yl-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 115879085
2-pyrrolidin-1-yl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 81422867
N-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 55113610
1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 63826093
2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78914468
1-cyclopentyl-2-(1,3-thiazol-4-ylmethylamino)ethanol
CID 111425443
1-piperidin-1-yl-2-(1,3-thiazol-4-ylmethylamino)ethanone
CID 115590354
N-[(1-tert-butyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 103399289
1-N-(1,3-thiazol-4-ylmethyl)pentane-1,2-diamine
CID 63826089

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (CID 78968604) is 2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is CC(CNCc1cscn1)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The InChIKey is HAFHHUWDFPBDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-10(14-4-2-3-5-14)6-12-7-11-8-15-9-13-11/h8-10,12H,2-7H2,1H3.
What are the key properties of 2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
2-pyrrolidin-1-yl-N-(1,3-thiazol-4-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-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 78968604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).