[5-phenyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine

C15H14N2S2 — CID 64717497

IUPAC[5-phenyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine
SMILESNCc1nc(Cc2cccs2)sc1-c1ccccc1
InChIInChI=1S/C15H14N2S2/c16-10-13-15(11-5-2-1-3-6-11)19-14(17-13)9-12-7-4-8-18-12/h1-8H,9-10,16H2
InChIKeyHKYIJPOHAVXBGS-UHFFFAOYSA-N
MW286.43 g/mol
LogP3.92
Rot. Bonds4

About [5-phenyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine

[5-phenyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine (PubChem CID 64717497) has the molecular formula C15H14N2S2 and a molecular weight of 286.43 g/mol. Its IUPAC name is [5-phenyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-phenyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine
PubChem CID64717497
Molecular FormulaC15H14N2S2
Molecular Weight286.43 g/mol
Exact Mass286.06
IUPAC Name[5-phenyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine
SMILESNCc1nc(Cc2cccs2)sc1-c1ccccc1
InChIInChI=1S/C15H14N2S2/c16-10-13-15(11-5-2-1-3-6-11)19-14(17-13)9-12-7-4-8-18-12/h1-8H,9-10,16H2
InChIKeyHKYIJPOHAVXBGS-UHFFFAOYSA-N
XLogP3.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-phenyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [5-phenyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine (CID 64717497) is [5-phenyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [5-phenyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [5-phenyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine is NCc1nc(Cc2cccs2)sc1-c1ccccc1.
What is the InChIKey of [5-phenyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is HKYIJPOHAVXBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S2/c16-10-13-15(11-5-2-1-3-6-11)19-14(17-13)9-12-7-4-8-18-12/h1-8H,9-10,16H2.
What are the key properties of [5-phenyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine?
[5-phenyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 286.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-phenyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 64717497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).