N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine

C13H18N2S2 — CID 62069606

IUPACN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCCc1scnc1C)c1cccs1
InChIInChI=1S/C13H18N2S2/c1-3-11(13-5-4-8-16-13)14-7-6-12-10(2)15-9-17-12/h4-5,8-9,11,14H,3,6-7H2,1-2H3
InChIKeyJOZUGGVSAHFWDE-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.80
Rot. Bonds6

About N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine

N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 62069606) has the molecular formula C13H18N2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID62069606
Molecular FormulaC13H18N2S2
Molecular Weight266.43 g/mol
Exact Mass266.09
IUPAC NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCCc1scnc1C)c1cccs1
InChIInChI=1S/C13H18N2S2/c1-3-11(13-5-4-8-16-13)14-7-6-12-10(2)15-9-17-12/h4-5,8-9,11,14H,3,6-7H2,1-2H3
InChIKeyJOZUGGVSAHFWDE-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81407952
(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398219
(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81406260
N-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43093641
(1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81400379
4-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentan-2-amine
CID 62069755
N-ethoxy-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 64687165
5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine
CID 115324978
2-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylpropan-1-amine
CID 80526694
methyl 3-(1-thiophen-2-ylpropylamino)propanoate
CID 43139675
(1S)-1-(3-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81372103
(1R)-1-(3-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81381393

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine (CID 62069606) is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine is CCC(NCCc1scnc1C)c1cccs1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is JOZUGGVSAHFWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-3-11(13-5-4-8-16-13)14-7-6-12-10(2)15-9-17-12/h4-5,8-9,11,14H,3,6-7H2,1-2H3.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine?
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 62069606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).