4-[2-(5-methylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine

C10H10N2S2 — CID 77039903

IUPAC4-[2-(5-methylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine
SMILESCc1ccc(C=Cc2csc(N)n2)s1
InChIInChI=1S/C10H10N2S2/c1-7-2-4-9(14-7)5-3-8-6-13-10(11)12-8/h2-6H,1H3,(H2,11,12)
InChIKeyLRXCMGRENJAGCL-UHFFFAOYSA-N
MW222.34 g/mol
LogP3.27
Rot. Bonds2

About 4-[2-(5-methylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine

4-[2-(5-methylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine (PubChem CID 77039903) has the molecular formula C10H10N2S2 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-[2-(5-methylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(5-methylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine
PubChem CID77039903
Molecular FormulaC10H10N2S2
Molecular Weight222.34 g/mol
Exact Mass222.03
IUPAC Name4-[2-(5-methylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine
SMILESCc1ccc(C=Cc2csc(N)n2)s1
InChIInChI=1S/C10H10N2S2/c1-7-2-4-9(14-7)5-3-8-6-13-10(11)12-8/h2-6H,1H3,(H2,11,12)
InChIKeyLRXCMGRENJAGCL-UHFFFAOYSA-N
XLogP3.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(5-methylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine (CID 77039903) is 4-[2-(5-methylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(5-methylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(5-methylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine is Cc1ccc(C=Cc2csc(N)n2)s1.
What is the InChIKey of 4-[2-(5-methylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine?
The InChIKey is LRXCMGRENJAGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S2/c1-7-2-4-9(14-7)5-3-8-6-13-10(11)12-8/h2-6H,1H3,(H2,11,12).
What are the key properties of 4-[2-(5-methylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine?
4-[2-(5-methylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine has a molecular weight of 222.34 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 77039903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).