N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine

C8H14N2S — CID 46784250

IUPACN-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine
SMILESCC(C)NC(C)c1cscn1
InChIInChI=1S/C8H14N2S/c1-6(2)10-7(3)8-4-11-5-9-8/h4-7,10H,1-3H3
InChIKeyQMBZRCGQJUIJED-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.20
Rot. Bonds3

About N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine

N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine (PubChem CID 46784250) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine
PubChem CID46784250
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC NameN-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine
SMILESCC(C)NC(C)c1cscn1
InChIInChI=1S/C8H14N2S/c1-6(2)10-7(3)8-4-11-5-9-8/h4-7,10H,1-3H3
InChIKeyQMBZRCGQJUIJED-UHFFFAOYSA-N
XLogP2.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 46784246
N-benzhydryl-1-(1,3-thiazol-4-yl)ethanamine
CID 115878793
methyl (2S)-2-[1-(1,3-thiazol-4-yl)ethylamino]propanoate
CID 104865936
(1R)-N-[1-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 104865977
3-[1-(1,3-thiazol-4-yl)ethylamino]butanamide
CID 115879478
1-(5-chlorothiophen-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 115878972
N-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine
CID 46784254
4,4-dimethyl-3-[1-(1,3-thiazol-4-yl)ethylamino]pentan-1-ol
CID 104925969
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879238
N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115879116
N-tert-butylsulfanyl-1-(1,3-thiazol-4-yl)ethanamine
CID 155231694
4-fluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115916752

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine?
The IUPAC name of N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine (CID 46784250) is N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine is CC(C)NC(C)c1cscn1.
What is the InChIKey of N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine?
The InChIKey is QMBZRCGQJUIJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-6(2)10-7(3)8-4-11-5-9-8/h4-7,10H,1-3H3.
What are the key properties of N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine?
N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine has a molecular weight of 170.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine is sourced from PubChem (CID 46784250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).