7-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole

C18H13N5S2 — CID 58094765

IUPAC7-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole
SMILESCc1nn2ccsc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1
InChIInChI=1S/C18H13N5S2/c1-11-13(18-23(22-11)9-10-24-18)17-21-14(12-5-3-2-4-6-12)15(25-17)16-19-7-8-20-16/h2-10H,1H3,(H,19,20)
InChIKeyJCYLBUZOGBCOKQ-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.88
Rot. Bonds3

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

7-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole (PubChem CID 58094765) has the molecular formula C18H13N5S2 and a molecular weight of 363.47 g/mol. Its IUPAC name is 7-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole.

Molecular Properties

Compound Name7-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole
PubChem CID58094765
Molecular FormulaC18H13N5S2
Molecular Weight363.47 g/mol
Exact Mass363.06
IUPAC Name7-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole
SMILESCc1nn2ccsc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1
InChIInChI=1S/C18H13N5S2/c1-11-13(18-23(22-11)9-10-24-18)17-21-14(12-5-3-2-4-6-12)15(25-17)16-19-7-8-20-16/h2-10H,1H3,(H,19,20)
InChIKeyJCYLBUZOGBCOKQ-UHFFFAOYSA-N
XLogP4.88
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole?
The IUPAC name of 7-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole (CID 58094765) is 7-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole.
What is the SMILES notation for 7-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole?
The canonical SMILES for 7-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole is Cc1nn2ccsc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1.
What is the InChIKey of 7-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole?
The InChIKey is JCYLBUZOGBCOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5S2/c1-11-13(18-23(22-11)9-10-24-18)17-21-14(12-5-3-2-4-6-12)15(25-17)16-19-7-8-20-16/h2-10H,1H3,(H,19,20).
What are the key properties of 7-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole?
7-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole has a molecular weight of 363.47 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole is sourced from PubChem (CID 58094765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).