4-(4-methylphenyl)-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole

C18H19N3S — CID 17038808

IUPAC4-(4-methylphenyl)-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-n3nc4c(c3C)CCCC4)n2)cc1
InChIInChI=1S/C18H19N3S/c1-12-7-9-14(10-8-12)17-11-22-18(19-17)21-13(2)15-5-3-4-6-16(15)20-21/h7-11H,3-6H2,1-2H3
InChIKeyYKSKYIKXJCPCOA-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.49
Rot. Bonds2

About 4-(4-methylphenyl)-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole

4-(4-methylphenyl)-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole (PubChem CID 17038808) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole
PubChem CID17038808
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name4-(4-methylphenyl)-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-n3nc4c(c3C)CCCC4)n2)cc1
InChIInChI=1S/C18H19N3S/c1-12-7-9-14(10-8-12)17-11-22-18(19-17)21-13(2)15-5-3-4-6-16(15)20-21/h7-11H,3-6H2,1-2H3
InChIKeyYKSKYIKXJCPCOA-UHFFFAOYSA-N
XLogP4.49
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole?
The IUPAC name of 4-(4-methylphenyl)-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole (CID 17038808) is 4-(4-methylphenyl)-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-methylphenyl)-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-methylphenyl)-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole is Cc1ccc(-c2csc(-n3nc4c(c3C)CCCC4)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole?
The InChIKey is YKSKYIKXJCPCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-12-7-9-14(10-8-12)17-11-22-18(19-17)21-13(2)15-5-3-4-6-16(15)20-21/h7-11H,3-6H2,1-2H3.
What are the key properties of 4-(4-methylphenyl)-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole?
4-(4-methylphenyl)-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole has a molecular weight of 309.44 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 17038808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).