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

C12H16N2S2 — CID 81407952

IUPAC(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylethanamine
SMILESCc1ncsc1CCN[C@@H](C)c1cccs1
InChIInChI=1S/C12H16N2S2/c1-9(11-4-3-7-15-11)13-6-5-12-10(2)14-8-16-12/h3-4,7-9,13H,5-6H2,1-2H3/t9-/m0/s1
InChIKeyHZPWJAZUGIYOAJ-VIFPVBQESA-N
MW252.41 g/mol
LogP3.41
Rot. Bonds5

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

(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylethanamine (PubChem CID 81407952) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is (1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylethanamine
PubChem CID81407952
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylethanamine
SMILESCc1ncsc1CCN[C@@H](C)c1cccs1
InChIInChI=1S/C12H16N2S2/c1-9(11-4-3-7-15-11)13-6-5-12-10(2)14-8-16-12/h3-4,7-9,13H,5-6H2,1-2H3/t9-/m0/s1
InChIKeyHZPWJAZUGIYOAJ-VIFPVBQESA-N
XLogP3.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398219
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 62069606
(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81406260
(1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81400379
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 63831315
(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
4-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentan-2-amine
CID 62069755
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
2-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylpropan-1-amine
CID 80526694
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81408503

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylethanamine (CID 81407952) is (1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylethanamine is Cc1ncsc1CCN[C@@H](C)c1cccs1.
What is the InChIKey of (1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is HZPWJAZUGIYOAJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2S2/c1-9(11-4-3-7-15-11)13-6-5-12-10(2)14-8-16-12/h3-4,7-9,13H,5-6H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylethanamine?
(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 252.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 81407952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).