2-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)ethanamine

C9H15N3S — CID 82398617

IUPAC2-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)ethanamine
SMILESNC(CN1CCCC1)c1cncs1
InChIInChI=1S/C9H15N3S/c10-8(9-5-11-7-13-9)6-12-3-1-2-4-12/h5,7-8H,1-4,6,10H2
InChIKeyIBFYDLFRKCFVRL-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.24
Rot. Bonds3

About 2-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)ethanamine

2-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)ethanamine (PubChem CID 82398617) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)ethanamine
PubChem CID82398617
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)ethanamine
SMILESNC(CN1CCCC1)c1cncs1
InChIInChI=1S/C9H15N3S/c10-8(9-5-11-7-13-9)6-12-3-1-2-4-12/h5,7-8H,1-4,6,10H2
InChIKeyIBFYDLFRKCFVRL-UHFFFAOYSA-N
XLogP1.24
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azocan-1-yl)-1-thiophen-2-ylethanamine
CID 115287666
1-(1,3-thiazol-5-yl)propan-1-amine
CID 67336934
3-amino-3-(1,3-thiazol-5-yl)propan-1-ol
CID 55255831
(1R)-1-(1,3-thiazol-5-yl)ethanamine
CID 42151698
(1S)-1-(1,3-thiazol-5-yl)ethanamine
CID 42151701
1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine
CID 82294536
2-(1-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethanamine
CID 82878134
3-(1-methylpyrazol-4-yl)-1-(1,3-thiazol-5-yl)propan-1-amine
CID 103011577
chloro(1,3-thiazol-5-yl)methanamine
CID 67926841
1-(3-methyltriazol-4-yl)-2-pyrrolidin-1-ylethanamine
CID 130730117
[4-(2-pyrrolidin-1-ylethoxy)phenyl]-(1,3-thiazol-5-yl)methanol
CID 10828365
2-(azetidin-1-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 130699391

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)ethanamine (CID 82398617) is 2-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)ethanamine is NC(CN1CCCC1)c1cncs1.
What is the InChIKey of 2-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is IBFYDLFRKCFVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c10-8(9-5-11-7-13-9)6-12-3-1-2-4-12/h5,7-8H,1-4,6,10H2.
What are the key properties of 2-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)ethanamine?
2-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 197.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 82398617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).