4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole

C9H10N2S2 — CID 115573824

IUPAC4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole
SMILESCc1csc(Cc2nc(C)cs2)n1
InChIInChI=1S/C9H10N2S2/c1-6-4-12-8(10-6)3-9-11-7(2)5-13-9/h4-5H,3H2,1-2H3
InChIKeyDZPDEFMTQJQHEX-UHFFFAOYSA-N
MW210.33 g/mol
LogP2.81
Rot. Bonds2

About 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole

4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole (PubChem CID 115573824) has the molecular formula C9H10N2S2 and a molecular weight of 210.33 g/mol. Its IUPAC name is 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole
PubChem CID115573824
Molecular FormulaC9H10N2S2
Molecular Weight210.33 g/mol
Exact Mass210.03
IUPAC Name4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole
SMILESCc1csc(Cc2nc(C)cs2)n1
InChIInChI=1S/C9H10N2S2/c1-6-4-12-8(10-6)3-9-11-7(2)5-13-9/h4-5H,3H2,1-2H3
InChIKeyDZPDEFMTQJQHEX-UHFFFAOYSA-N
XLogP2.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-Butyl-4-methylthiazole
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2,2'-(1,2-Ethanediyl)bis(4-methyl-1,3-thiazole)
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2-Methyl-5-(((2-methylthiazol-4-yl)methyl)thio)-1,3,4-thiadiazole
CID 752198
(NZ)-N-[(2-methyl-1,3-thiazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methylidene]hydroxylamine
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4-Methyl-2-pentylthiazole
CID 55295883
2-Ethyl-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,3-thiazole
CID 71926177

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole (CID 115573824) is 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole is Cc1csc(Cc2nc(C)cs2)n1.
What is the InChIKey of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole?
The InChIKey is DZPDEFMTQJQHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S2/c1-6-4-12-8(10-6)3-9-11-7(2)5-13-9/h4-5H,3H2,1-2H3.
What are the key properties of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole?
4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole has a molecular weight of 210.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 115573824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).