5-(3-phenylprop-2-enylsulfanyl)-1,3-thiazol-2-amine

C12H12N2S2 — CID 74315241

IUPAC5-(3-phenylprop-2-enylsulfanyl)-1,3-thiazol-2-amine
SMILESNc1ncc(SCC=Cc2ccccc2)s1
InChIInChI=1S/C12H12N2S2/c13-12-14-9-11(16-12)15-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2,(H2,13,14)
InChIKeyWFGVUBHRQKGDTM-UHFFFAOYSA-N
MW248.38 g/mol
LogP3.53
Rot. Bonds4

About 5-(3-phenylprop-2-enylsulfanyl)-1,3-thiazol-2-amine

5-(3-phenylprop-2-enylsulfanyl)-1,3-thiazol-2-amine (PubChem CID 74315241) has the molecular formula C12H12N2S2 and a molecular weight of 248.38 g/mol. Its IUPAC name is 5-(3-phenylprop-2-enylsulfanyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-phenylprop-2-enylsulfanyl)-1,3-thiazol-2-amine
PubChem CID74315241
Molecular FormulaC12H12N2S2
Molecular Weight248.38 g/mol
Exact Mass248.04
IUPAC Name5-(3-phenylprop-2-enylsulfanyl)-1,3-thiazol-2-amine
SMILESNc1ncc(SCC=Cc2ccccc2)s1
InChIInChI=1S/C12H12N2S2/c13-12-14-9-11(16-12)15-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2,(H2,13,14)
InChIKeyWFGVUBHRQKGDTM-UHFFFAOYSA-N
XLogP3.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylprop-2-enylsulfanyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-phenylprop-2-enylsulfanyl)-1,3-thiazol-2-amine (CID 74315241) is 5-(3-phenylprop-2-enylsulfanyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-phenylprop-2-enylsulfanyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-phenylprop-2-enylsulfanyl)-1,3-thiazol-2-amine is Nc1ncc(SCC=Cc2ccccc2)s1.
What is the InChIKey of 5-(3-phenylprop-2-enylsulfanyl)-1,3-thiazol-2-amine?
The InChIKey is WFGVUBHRQKGDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S2/c13-12-14-9-11(16-12)15-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2,(H2,13,14).
What are the key properties of 5-(3-phenylprop-2-enylsulfanyl)-1,3-thiazol-2-amine?
5-(3-phenylprop-2-enylsulfanyl)-1,3-thiazol-2-amine has a molecular weight of 248.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylprop-2-enylsulfanyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 74315241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).