6-methyl-7-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole

C18H14N6S2 — CID 46865631

IUPAC6-methyl-7-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole
SMILESCc1nc(-c2sc(-c3c(C)nn4ccsc34)nc2-c2ccccc2)n[nH]1
InChIInChI=1S/C18H14N6S2/c1-10-13(18-24(23-10)8-9-25-18)17-20-14(12-6-4-3-5-7-12)15(26-17)16-19-11(2)21-22-16/h3-9H,1-2H3,(H,19,21,22)
InChIKeyPKRKLDWADNIKPL-UHFFFAOYSA-N
MW378.49 g/mol
LogP4.59
Rot. Bonds3

About 6-methyl-7-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole

6-methyl-7-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole (PubChem CID 46865631) has the molecular formula C18H14N6S2 and a molecular weight of 378.49 g/mol. Its IUPAC name is 6-methyl-7-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-methyl-7-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole
PubChem CID46865631
Molecular FormulaC18H14N6S2
Molecular Weight378.49 g/mol
Exact Mass378.07
IUPAC Name6-methyl-7-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole
SMILESCc1nc(-c2sc(-c3c(C)nn4ccsc34)nc2-c2ccccc2)n[nH]1
InChIInChI=1S/C18H14N6S2/c1-10-13(18-24(23-10)8-9-25-18)17-20-14(12-6-4-3-5-7-12)15(26-17)16-19-11(2)21-22-16/h3-9H,1-2H3,(H,19,21,22)
InChIKeyPKRKLDWADNIKPL-UHFFFAOYSA-N
XLogP4.59
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole?
The IUPAC name of 6-methyl-7-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole (CID 46865631) is 6-methyl-7-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole.
What is the SMILES notation for 6-methyl-7-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole?
The canonical SMILES for 6-methyl-7-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole is Cc1nc(-c2sc(-c3c(C)nn4ccsc34)nc2-c2ccccc2)n[nH]1.
What is the InChIKey of 6-methyl-7-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole?
The InChIKey is PKRKLDWADNIKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6S2/c1-10-13(18-24(23-10)8-9-25-18)17-20-14(12-6-4-3-5-7-12)15(26-17)16-19-11(2)21-22-16/h3-9H,1-2H3,(H,19,21,22).
What are the key properties of 6-methyl-7-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole?
6-methyl-7-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole has a molecular weight of 378.49 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole is sourced from PubChem (CID 46865631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).