2-methylidene-3H-thiophene;2-methyl-1,3-thiazole

C9H11NS2 — CID 161249624

IUPAC2-methylidene-3H-thiophene;2-methyl-1,3-thiazole
SMILESC=C1CC=CS1.Cc1nccs1
InChIInChI=1S/C5H6S.C4H5NS/c1-5-3-2-4-6-5;1-4-5-2-3-6-4/h2,4H,1,3H2;2-3H,1H3
InChIKeyVBCDALSWCOTONA-UHFFFAOYSA-N
MW197.33 g/mol
LogP3.60
Rot. Bonds

About 2-methylidene-3H-thiophene;2-methyl-1,3-thiazole

2-methylidene-3H-thiophene;2-methyl-1,3-thiazole (PubChem CID 161249624) has the molecular formula C9H11NS2 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-methylidene-3H-thiophene;2-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-methylidene-3H-thiophene;2-methyl-1,3-thiazole
PubChem CID161249624
Molecular FormulaC9H11NS2
Molecular Weight197.33 g/mol
Exact Mass197.03
IUPAC Name2-methylidene-3H-thiophene;2-methyl-1,3-thiazole
SMILESC=C1CC=CS1.Cc1nccs1
InChIInChI=1S/C5H6S.C4H5NS/c1-5-3-2-4-6-5;1-4-5-2-3-6-4/h2,4H,1,3H2;2-3H,1H3
InChIKeyVBCDALSWCOTONA-UHFFFAOYSA-N
XLogP3.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 134969319
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2-(2,5-dihydropyridin-6-yl)-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3H-thiophene;2-methyl-1,3-thiazole?
The IUPAC name of 2-methylidene-3H-thiophene;2-methyl-1,3-thiazole (CID 161249624) is 2-methylidene-3H-thiophene;2-methyl-1,3-thiazole.
What is the SMILES notation for 2-methylidene-3H-thiophene;2-methyl-1,3-thiazole?
The canonical SMILES for 2-methylidene-3H-thiophene;2-methyl-1,3-thiazole is C=C1CC=CS1.Cc1nccs1.
What is the InChIKey of 2-methylidene-3H-thiophene;2-methyl-1,3-thiazole?
The InChIKey is VBCDALSWCOTONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6S.C4H5NS/c1-5-3-2-4-6-5;1-4-5-2-3-6-4/h2,4H,1,3H2;2-3H,1H3.
What are the key properties of 2-methylidene-3H-thiophene;2-methyl-1,3-thiazole?
2-methylidene-3H-thiophene;2-methyl-1,3-thiazole has a molecular weight of 197.33 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3H-thiophene;2-methyl-1,3-thiazole is sourced from PubChem (CID 161249624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).