N-[2-(azetidin-3-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine

C10H17N3S — CID 116680140

IUPACN-[2-(azetidin-3-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC(NCCC1CNC1)c1nccs1
InChIInChI=1S/C10H17N3S/c1-8(10-13-4-5-14-10)12-3-2-9-6-11-7-9/h4-5,8-9,11-12H,2-3,6-7H2,1H3
InChIKeyFPFLVVCBNHWGAY-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.40
Rot. Bonds5

About N-[2-(azetidin-3-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine

N-[2-(azetidin-3-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 116680140) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID116680140
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-[2-(azetidin-3-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC(NCCC1CNC1)c1nccs1
InChIInChI=1S/C10H17N3S/c1-8(10-13-4-5-14-10)12-3-2-9-6-11-7-9/h4-5,8-9,11-12H,2-3,6-7H2,1H3
InChIKeyFPFLVVCBNHWGAY-UHFFFAOYSA-N
XLogP1.40
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64993645
3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine
CID 102978103
3-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103271556
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 65161041
2,2-dimethyl-4-[1-(1,3-thiazol-2-yl)ethylamino]butanenitrile
CID 65253484
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64990558
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 114042148
1-(1,3-thiazol-2-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82917675
1-(1,3-thiazol-2-yl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80584011
1-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]cyclobutan-1-amine
CID 79845095

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[2-(azetidin-3-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine (CID 116680140) is N-[2-(azetidin-3-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[2-(azetidin-3-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[2-(azetidin-3-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine is CC(NCCC1CNC1)c1nccs1.
What is the InChIKey of N-[2-(azetidin-3-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is FPFLVVCBNHWGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8(10-13-4-5-14-10)12-3-2-9-6-11-7-9/h4-5,8-9,11-12H,2-3,6-7H2,1H3.
What are the key properties of N-[2-(azetidin-3-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine?
N-[2-(azetidin-3-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 211.33 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 116680140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).