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

C11H9N3S3 — CID 59782679

IUPAC2-(2-methyl-1,3-thiazol-5-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole
SMILESCc1cnc(-c2cnc(-c3cnc(C)s3)s2)s1
InChIInChI=1S/C11H9N3S3/c1-6-3-13-10(15-6)9-5-14-11(17-9)8-4-12-7(2)16-8/h3-5H,1-2H3
InChIKeyPRPULSAUDXPZJC-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.01
Rot. Bonds2

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

2-(2-methyl-1,3-thiazol-5-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole (PubChem CID 59782679) has the molecular formula C11H9N3S3 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-5-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-5-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole
PubChem CID59782679
Molecular FormulaC11H9N3S3
Molecular Weight279.42 g/mol
Exact Mass279.00
IUPAC Name2-(2-methyl-1,3-thiazol-5-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole
SMILESCc1cnc(-c2cnc(-c3cnc(C)s3)s2)s1
InChIInChI=1S/C11H9N3S3/c1-6-3-13-10(15-6)9-5-14-11(17-9)8-4-12-7(2)16-8/h3-5H,1-2H3
InChIKeyPRPULSAUDXPZJC-UHFFFAOYSA-N
XLogP4.01
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-5-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole?
The IUPAC name of 2-(2-methyl-1,3-thiazol-5-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole (CID 59782679) is 2-(2-methyl-1,3-thiazol-5-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-5-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-5-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole is Cc1cnc(-c2cnc(-c3cnc(C)s3)s2)s1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-5-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole?
The InChIKey is PRPULSAUDXPZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S3/c1-6-3-13-10(15-6)9-5-14-11(17-9)8-4-12-7(2)16-8/h3-5H,1-2H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-5-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole?
2-(2-methyl-1,3-thiazol-5-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole has a molecular weight of 279.42 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-5-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 59782679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).