2-methylidene-3H-1,3-thiazole

C4H5NS — CID 22256071

IUPAC2-methylidene-3H-1,3-thiazole
SMILESC=C1NC=CS1
InChIInChI=1S/C4H5NS/c1-4-5-2-3-6-4/h2-3,5H,1H2
InChIKeyHAOOXLOWFGXQEQ-UHFFFAOYSA-N
MW99.16 g/mol
LogP1.27
Rot. Bonds

About 2-methylidene-3H-1,3-thiazole

2-methylidene-3H-1,3-thiazole (PubChem CID 22256071) has the molecular formula C4H5NS and a molecular weight of 99.16 g/mol. Its IUPAC name is 2-methylidene-3H-1,3-thiazole.

Molecular Properties

Compound Name2-methylidene-3H-1,3-thiazole
PubChem CID22256071
Molecular FormulaC4H5NS
Molecular Weight99.16 g/mol
Exact Mass99.01
IUPAC Name2-methylidene-3H-1,3-thiazole
SMILESC=C1NC=CS1
InChIInChI=1S/C4H5NS/c1-4-5-2-3-6-4/h2-3,5H,1H2
InChIKeyHAOOXLOWFGXQEQ-UHFFFAOYSA-N
XLogP1.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.16
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydro-2-thiazolamine
CID 86030
2,3-Dihydrothiazole
CID 151424
Methyldihydrothiazole
CID 18975129
3,4-dihydro-2H-1,4-thiazine
CID 21865209
2,3-Dihydro-1,3-thiazol-2-amine--hydrogen chloride (1/1)
CID 22833481
Thiazine
CID 15789247
3h-Thiazolone
CID 53442812
Ethylidenedihydrothiazole
CID 129816085
Thiazole2,2 diamine
CID 141361795
2-(Trifluoromethyl)-2,3-dihydro-1,3-thiazole
CID 19974214
2-(Fluoromethyl)-2,3-dihydro-1,3-thiazole
CID 173147255
2-Fluoro-2,3-dihydro-1,3-thiazole
CID 173707284

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3H-1,3-thiazole?
The IUPAC name of 2-methylidene-3H-1,3-thiazole (CID 22256071) is 2-methylidene-3H-1,3-thiazole.
What is the SMILES notation for 2-methylidene-3H-1,3-thiazole?
The canonical SMILES for 2-methylidene-3H-1,3-thiazole is C=C1NC=CS1.
What is the InChIKey of 2-methylidene-3H-1,3-thiazole?
The InChIKey is HAOOXLOWFGXQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NS/c1-4-5-2-3-6-4/h2-3,5H,1H2.
What are the key properties of 2-methylidene-3H-1,3-thiazole?
2-methylidene-3H-1,3-thiazole has a molecular weight of 99.16 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3H-1,3-thiazole is sourced from PubChem (CID 22256071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).