4-[(3-methylindazol-1-yl)methyl]-2-propan-2-yl-1,3-thiazole

C15H17N3S — CID 141439042

IUPAC4-[(3-methylindazol-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
SMILESCc1nn(Cc2csc(C(C)C)n2)c2ccccc12
InChIInChI=1S/C15H17N3S/c1-10(2)15-16-12(9-19-15)8-18-14-7-5-4-6-13(14)11(3)17-18/h4-7,9-10H,8H2,1-3H3
InChIKeyGJUKQFVVHSMNDP-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.97
Rot. Bonds3

About 4-[(3-methylindazol-1-yl)methyl]-2-propan-2-yl-1,3-thiazole

4-[(3-methylindazol-1-yl)methyl]-2-propan-2-yl-1,3-thiazole (PubChem CID 141439042) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 4-[(3-methylindazol-1-yl)methyl]-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(3-methylindazol-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
PubChem CID141439042
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name4-[(3-methylindazol-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
SMILESCc1nn(Cc2csc(C(C)C)n2)c2ccccc12
InChIInChI=1S/C15H17N3S/c1-10(2)15-16-12(9-19-15)8-18-14-7-5-4-6-13(14)11(3)17-18/h4-7,9-10H,8H2,1-3H3
InChIKeyGJUKQFVVHSMNDP-UHFFFAOYSA-N
XLogP3.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylindazol-1-yl)methyl]-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-[(3-methylindazol-1-yl)methyl]-2-propan-2-yl-1,3-thiazole (CID 141439042) is 4-[(3-methylindazol-1-yl)methyl]-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[(3-methylindazol-1-yl)methyl]-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-[(3-methylindazol-1-yl)methyl]-2-propan-2-yl-1,3-thiazole is Cc1nn(Cc2csc(C(C)C)n2)c2ccccc12.
What is the InChIKey of 4-[(3-methylindazol-1-yl)methyl]-2-propan-2-yl-1,3-thiazole?
The InChIKey is GJUKQFVVHSMNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-10(2)15-16-12(9-19-15)8-18-14-7-5-4-6-13(14)11(3)17-18/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 4-[(3-methylindazol-1-yl)methyl]-2-propan-2-yl-1,3-thiazole?
4-[(3-methylindazol-1-yl)methyl]-2-propan-2-yl-1,3-thiazole has a molecular weight of 271.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylindazol-1-yl)methyl]-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 141439042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).