(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine

C12H14N2S — CID 122423107

IUPAC(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
SMILESCc1ncsc1-c1ccc([C@H](C)N)cc1
InChIInChI=1S/C12H14N2S/c1-8(13)10-3-5-11(6-4-10)12-9(2)14-7-15-12/h3-8H,13H2,1-2H3/t8-/m0/s1
InChIKeyCNZNRMWCDRNGBO-QMMMGPOBSA-N
MW218.32 g/mol
LogP3.14
Rot. Bonds2

About (1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine

(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine (PubChem CID 122423107) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is (1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
PubChem CID122423107
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
SMILESCc1ncsc1-c1ccc([C@H](C)N)cc1
InChIInChI=1S/C12H14N2S/c1-8(13)10-3-5-11(6-4-10)12-9(2)14-7-15-12/h3-8H,13H2,1-2H3/t8-/m0/s1
InChIKeyCNZNRMWCDRNGBO-QMMMGPOBSA-N
XLogP3.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine (CID 122423107) is (1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine is Cc1ncsc1-c1ccc([C@H](C)N)cc1.
What is the InChIKey of (1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine?
The InChIKey is CNZNRMWCDRNGBO-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14N2S/c1-8(13)10-3-5-11(6-4-10)12-9(2)14-7-15-12/h3-8H,13H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine?
(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine has a molecular weight of 218.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine is sourced from PubChem (CID 122423107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).