3-methyl-1,2-didehydro-1,3-thiazole

C4H5NS — CID 101146457

IUPAC3-methyl-1,2-didehydro-1,3-thiazole
SMILESCN1C#SC=C1
InChIInChI=1S/C4H5NS/c1-5-2-3-6-4-5/h2-3H,1H3
InChIKeyMBHVHBSJSWYMTF-UHFFFAOYSA-N
MW99.16 g/mol
LogP1.05
Rot. Bonds

About 3-methyl-1,2-didehydro-1,3-thiazole

3-methyl-1,2-didehydro-1,3-thiazole (PubChem CID 101146457) has the molecular formula C4H5NS and a molecular weight of 99.16 g/mol. Its IUPAC name is 3-methyl-1,2-didehydro-1,3-thiazole.

Molecular Properties

Compound Name3-methyl-1,2-didehydro-1,3-thiazole
PubChem CID101146457
Molecular FormulaC4H5NS
Molecular Weight99.16 g/mol
Exact Mass99.01
IUPAC Name3-methyl-1,2-didehydro-1,3-thiazole
SMILESCN1C#SC=C1
InChIInChI=1S/C4H5NS/c1-5-2-3-6-4-5/h2-3H,1H3
InChIKeyMBHVHBSJSWYMTF-UHFFFAOYSA-N
XLogP1.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.16
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2(3H)-Thiazolethione, 3-methyl-
CID 138563
3-Methyl-thiazole
CID 15407522
2-fluoro-3-methyl-2H-1,3-thiazole
CID 172765522
CID 164679965
CID 164679965
Xemljnlycnpyiu-aatrikpksa-
CID 23264363
3-Ethyl-1,3-thiazole-2-thione
CID 13828868
3-ethyl-2H-1,3-thiazole
CID 18381193
3-ethyl-2-methyl-2H-1,3-thiazole
CID 19366383
3-ethenyl-2H-1,3-thiazole
CID 19838552
4-Methyl-2,3-dihydro-1,4-thiazine
CID 20497619
4-Methyl-1,4-thiazine
CID 21356955
2,3-dimethyl-2H-1,3-thiazole
CID 23182463

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2-didehydro-1,3-thiazole?
The IUPAC name of 3-methyl-1,2-didehydro-1,3-thiazole (CID 101146457) is 3-methyl-1,2-didehydro-1,3-thiazole.
What is the SMILES notation for 3-methyl-1,2-didehydro-1,3-thiazole?
The canonical SMILES for 3-methyl-1,2-didehydro-1,3-thiazole is CN1C#SC=C1.
What is the InChIKey of 3-methyl-1,2-didehydro-1,3-thiazole?
The InChIKey is MBHVHBSJSWYMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NS/c1-5-2-3-6-4-5/h2-3H,1H3.
What are the key properties of 3-methyl-1,2-didehydro-1,3-thiazole?
3-methyl-1,2-didehydro-1,3-thiazole has a molecular weight of 99.16 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2-didehydro-1,3-thiazole is sourced from PubChem (CID 101146457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).