5-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazole

C8H8N2S3 — CID 130670824

IUPAC5-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazole
SMILESCc1cnc(CSc2nccs2)s1
InChIInChI=1S/C8H8N2S3/c1-6-4-10-7(13-6)5-12-8-9-2-3-11-8/h2-4H,5H2,1H3
InChIKeyBVCJIIMALCFNTO-UHFFFAOYSA-N
MW228.37 g/mol
LogP3.20
Rot. Bonds3

About 5-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazole

5-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazole (PubChem CID 130670824) has the molecular formula C8H8N2S3 and a molecular weight of 228.37 g/mol. Its IUPAC name is 5-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazole
PubChem CID130670824
Molecular FormulaC8H8N2S3
Molecular Weight228.37 g/mol
Exact Mass227.98
IUPAC Name5-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazole
SMILESCc1cnc(CSc2nccs2)s1
InChIInChI=1S/C8H8N2S3/c1-6-4-10-7(13-6)5-12-8-9-2-3-11-8/h2-4H,5H2,1H3
InChIKeyBVCJIIMALCFNTO-UHFFFAOYSA-N
XLogP3.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole
CID 115886779
N-ethyl-5-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79774235
2-[(E)-3-chloroprop-2-enyl]sulfanyl-1,3-thiazole
CID 119086256
5-methyl-2-(prop-2-ynylsulfanylmethyl)-1,3-thiazole
CID 130709657
2-(thiophen-2-ylmethylsulfanyl)-1,3-thiazole
CID 130628845
1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine
CID 64628516
N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 61386152
2-[(6-chloro-3-pyridinyl)methylsulfanyl]-1,3-thiazole
CID 60553360
[4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanamine
CID 61220084
ethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate
CID 60658748
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)methanamine
CID 115655831
3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
CID 12923406

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazole?
The IUPAC name of 5-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazole (CID 130670824) is 5-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazole?
The canonical SMILES for 5-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazole is Cc1cnc(CSc2nccs2)s1.
What is the InChIKey of 5-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazole?
The InChIKey is BVCJIIMALCFNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S3/c1-6-4-10-7(13-6)5-12-8-9-2-3-11-8/h2-4H,5H2,1H3.
What are the key properties of 5-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazole?
5-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazole has a molecular weight of 228.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazole is sourced from PubChem (CID 130670824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).