2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole

C12H10N2S3 — CID 134530178

IUPAC2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole
SMILESCc1ncc(-c2ccc(-c3cnc(C)s3)s2)s1
InChIInChI=1S/C12H10N2S3/c1-7-13-5-11(15-7)9-3-4-10(17-9)12-6-14-8(2)16-12/h3-6H,1-2H3
InChIKeyHVHSXCVQHMIHCT-UHFFFAOYSA-N
MW278.43 g/mol
LogP4.61
Rot. Bonds2

About 2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole

2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole (PubChem CID 134530178) has the molecular formula C12H10N2S3 and a molecular weight of 278.43 g/mol. Its IUPAC name is 2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole
PubChem CID134530178
Molecular FormulaC12H10N2S3
Molecular Weight278.43 g/mol
Exact Mass278.00
IUPAC Name2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole
SMILESCc1ncc(-c2ccc(-c3cnc(C)s3)s2)s1
InChIInChI=1S/C12H10N2S3/c1-7-13-5-11(15-7)9-3-4-10(17-9)12-6-14-8(2)16-12/h3-6H,1-2H3
InChIKeyHVHSXCVQHMIHCT-UHFFFAOYSA-N
XLogP4.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 143737006
5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole
CID 67394717
2,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazine
CID 22960139
5-(6-chloro-2-fluoro-3-pyridinyl)-2-methyl-1,3-thiazole
CID 167504159
N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]adamantan-1-amine
CID 71610279
2-methyl-5-(4-methylsulfinylphenyl)-1,3-thiazole
CID 19995246
2-methyl-5-(4-methyl-3-propan-2-yl-2-pyridinyl)-1,3-thiazole
CID 167416986
N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine
CID 123443910
2,5-dimethyl-1,3-thiazole;ethane
CID 123921924
[5-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]methanamine
CID 130541584
ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole
CID 143851892
3-(2-methyl-1,3-thiazol-5-yl)benzoic acid
CID 68846285

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole?
The IUPAC name of 2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole (CID 134530178) is 2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole?
The canonical SMILES for 2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole is Cc1ncc(-c2ccc(-c3cnc(C)s3)s2)s1.
What is the InChIKey of 2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole?
The InChIKey is HVHSXCVQHMIHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S3/c1-7-13-5-11(15-7)9-3-4-10(17-9)12-6-14-8(2)16-12/h3-6H,1-2H3.
What are the key properties of 2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole?
2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole has a molecular weight of 278.43 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole is sourced from PubChem (CID 134530178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).