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

C12H13N3S3 — CID 159550357

IUPAC4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole;4-methyl-1,3-thiazole
SMILESCc1csc(-c2nc(C)cs2)n1.Cc1cscn1
InChIInChI=1S/C8H8N2S2.C4H5NS/c1-5-3-11-7(9-5)8-10-6(2)4-12-8;1-4-2-6-3-5-4/h3-4H,1-2H3;2-3H,1H3
InChIKeyMFHSRWMVAUGHNP-UHFFFAOYSA-N
MW295.46 g/mol
LogP4.33
Rot. Bonds1

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

4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole;4-methyl-1,3-thiazole (PubChem CID 159550357) has the molecular formula C12H13N3S3 and a molecular weight of 295.46 g/mol. Its IUPAC name is 4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole;4-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole;4-methyl-1,3-thiazole
PubChem CID159550357
Molecular FormulaC12H13N3S3
Molecular Weight295.46 g/mol
Exact Mass295.03
IUPAC Name4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole;4-methyl-1,3-thiazole
SMILESCc1csc(-c2nc(C)cs2)n1.Cc1cscn1
InChIInChI=1S/C8H8N2S2.C4H5NS/c1-5-3-11-7(9-5)8-10-6(2)4-12-8;1-4-2-6-3-5-4/h3-4H,1-2H3;2-3H,1H3
InChIKeyMFHSRWMVAUGHNP-UHFFFAOYSA-N
XLogP4.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-(1,3-thiazol-4-yl)-1,3-thiazole
CID 91325706
ethane;4-methyl-1,3-thiazole
CID 67067033
4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 116891909
2-methoxy-1,3-thiazole;4-methyl-1,3-thiazole
CID 175451508
4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride
CID 54605031
4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 116891883
4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole
CID 173053610
2-(5-bromo-2-methyl-4-pyridinyl)-4-methyl-1,3-thiazole
CID 68640621
5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103349079
2-(2-fluorophenyl)-4-methyl-1,3-thiazole
CID 53443450
5-acetyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid
CID 106696197
ethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 159901643

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole;4-methyl-1,3-thiazole?
The IUPAC name of 4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole;4-methyl-1,3-thiazole (CID 159550357) is 4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole;4-methyl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole;4-methyl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole;4-methyl-1,3-thiazole is Cc1csc(-c2nc(C)cs2)n1.Cc1cscn1.
What is the InChIKey of 4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole;4-methyl-1,3-thiazole?
The InChIKey is MFHSRWMVAUGHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S2.C4H5NS/c1-5-3-11-7(9-5)8-10-6(2)4-12-8;1-4-2-6-3-5-4/h3-4H,1-2H3;2-3H,1H3.
What are the key properties of 4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole;4-methyl-1,3-thiazole?
4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole;4-methyl-1,3-thiazole has a molecular weight of 295.46 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole;4-methyl-1,3-thiazole is sourced from PubChem (CID 159550357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).