N-[1-(1,2-thiazol-3-yl)ethyl]propan-1-amine

C8H14N2S — CID 131206616

IUPACN-[1-(1,2-thiazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccsn1
InChIInChI=1S/C8H14N2S/c1-3-5-9-7(2)8-4-6-11-10-8/h4,6-7,9H,3,5H2,1-2H3
InChIKeyWMAQRNPMJBIZRG-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.20
Rot. Bonds4

About N-[1-(1,2-thiazol-3-yl)ethyl]propan-1-amine

N-[1-(1,2-thiazol-3-yl)ethyl]propan-1-amine (PubChem CID 131206616) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is N-[1-(1,2-thiazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1,2-thiazol-3-yl)ethyl]propan-1-amine
PubChem CID131206616
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC NameN-[1-(1,2-thiazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccsn1
InChIInChI=1S/C8H14N2S/c1-3-5-9-7(2)8-4-6-11-10-8/h4,6-7,9H,3,5H2,1-2H3
InChIKeyWMAQRNPMJBIZRG-UHFFFAOYSA-N
XLogP2.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-Piperazin-2-yl-1,2-thiazole
CID 17762857
N-methyl-N'-[2-(2-(3-isothiazolyl)ethyl)aminoethyl]thiourea
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Ethyl-isothiazol-3-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
N-[(5-ethyl-1,2-thiazol-3-yl)methyl]pyrrolidin-3-amine
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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,2-thiazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1,2-thiazol-3-yl)ethyl]propan-1-amine (CID 131206616) is N-[1-(1,2-thiazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1,2-thiazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1,2-thiazol-3-yl)ethyl]propan-1-amine is CCCNC(C)c1ccsn1.
What is the InChIKey of N-[1-(1,2-thiazol-3-yl)ethyl]propan-1-amine?
The InChIKey is WMAQRNPMJBIZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-3-5-9-7(2)8-4-6-11-10-8/h4,6-7,9H,3,5H2,1-2H3.
What are the key properties of N-[1-(1,2-thiazol-3-yl)ethyl]propan-1-amine?
N-[1-(1,2-thiazol-3-yl)ethyl]propan-1-amine has a molecular weight of 170.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,2-thiazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 131206616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).