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

C11H14N2S2 — CID 81398219

IUPAC(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCc1ncsc1CN[C@@H](C)c1cccs1
InChIInChI=1S/C11H14N2S2/c1-8(10-4-3-5-14-10)12-6-11-9(2)13-7-15-11/h3-5,7-8,12H,6H2,1-2H3/t8-/m0/s1
InChIKeyLBYZKUGSWRFWFL-QMMMGPOBSA-N
MW238.38 g/mol
LogP3.36
Rot. Bonds4

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

(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 81398219) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is (1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID81398219
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC Name(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCc1ncsc1CN[C@@H](C)c1cccs1
InChIInChI=1S/C11H14N2S2/c1-8(10-4-3-5-14-10)12-6-11-9(2)13-7-15-11/h3-5,7-8,12H,6H2,1-2H3/t8-/m0/s1
InChIKeyLBYZKUGSWRFWFL-QMMMGPOBSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.36
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
1-(5-ethylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280479
(1R)-1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81403760
1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280404
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 63280230
1-(4-bromothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 107167418
(1S)-1-(2-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81383017
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine
CID 60696751
(2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 95377617
1-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 55170713
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 62069606
(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81371084

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine (CID 81398219) is (1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine is Cc1ncsc1CN[C@@H](C)c1cccs1.
What is the InChIKey of (1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is LBYZKUGSWRFWFL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2S2/c1-8(10-4-3-5-14-10)12-6-11-9(2)13-7-15-11/h3-5,7-8,12H,6H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine?
(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 238.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 81398219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).