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

C7H12N2S — CID 131172265

IUPACN-ethyl-1-(1,2-thiazol-3-yl)ethanamine
SMILESCCNC(C)c1ccsn1
InChIInChI=1S/C7H12N2S/c1-3-8-6(2)7-4-5-10-9-7/h4-6,8H,3H2,1-2H3
InChIKeyUFBYCGBSUOLMTH-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.81
Rot. Bonds3

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

N-ethyl-1-(1,2-thiazol-3-yl)ethanamine (PubChem CID 131172265) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is N-ethyl-1-(1,2-thiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1,2-thiazol-3-yl)ethanamine
PubChem CID131172265
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC NameN-ethyl-1-(1,2-thiazol-3-yl)ethanamine
SMILESCCNC(C)c1ccsn1
InChIInChI=1S/C7H12N2S/c1-3-8-6(2)7-4-5-10-9-7/h4-6,8H,3H2,1-2H3
InChIKeyUFBYCGBSUOLMTH-UHFFFAOYSA-N
XLogP1.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-methyl-N'-[2-(2-(3-isothiazolyl)ethyl)aminoethyl]thiourea
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Ethyl-(3-methyl-isothiazol-5-ylmethyl)-amine
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2-(Isothiazol-3-yl)ethan-1-amine
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1-(1,2-Thiazol-3-yl)propan-1-amine
CID 67337543
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1,2-thiazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(1,2-thiazol-3-yl)ethanamine (CID 131172265) is N-ethyl-1-(1,2-thiazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(1,2-thiazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(1,2-thiazol-3-yl)ethanamine is CCNC(C)c1ccsn1.
What is the InChIKey of N-ethyl-1-(1,2-thiazol-3-yl)ethanamine?
The InChIKey is UFBYCGBSUOLMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-3-8-6(2)7-4-5-10-9-7/h4-6,8H,3H2,1-2H3.
What are the key properties of N-ethyl-1-(1,2-thiazol-3-yl)ethanamine?
N-ethyl-1-(1,2-thiazol-3-yl)ethanamine has a molecular weight of 156.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1,2-thiazol-3-yl)ethanamine is sourced from PubChem (CID 131172265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).