2-(1H-indazol-3-yl)-5-(3-methoxyphenyl)-4-methyl-1,3-thiazole

C18H15N3OS — CID 22259146

IUPAC2-(1H-indazol-3-yl)-5-(3-methoxyphenyl)-4-methyl-1,3-thiazole
SMILESCOc1cccc(-c2sc(-c3n[nH]c4ccccc34)nc2C)c1
InChIInChI=1S/C18H15N3OS/c1-11-17(12-6-5-7-13(10-12)22-2)23-18(19-11)16-14-8-3-4-9-15(14)20-21-16/h3-10H,1-2H3,(H,20,21)
InChIKeyHFMLFIWSUOPIGU-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.67
Rot. Bonds3

About 2-(1H-indazol-3-yl)-5-(3-methoxyphenyl)-4-methyl-1,3-thiazole

2-(1H-indazol-3-yl)-5-(3-methoxyphenyl)-4-methyl-1,3-thiazole (PubChem CID 22259146) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-(1H-indazol-3-yl)-5-(3-methoxyphenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(1H-indazol-3-yl)-5-(3-methoxyphenyl)-4-methyl-1,3-thiazole
PubChem CID22259146
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name2-(1H-indazol-3-yl)-5-(3-methoxyphenyl)-4-methyl-1,3-thiazole
SMILESCOc1cccc(-c2sc(-c3n[nH]c4ccccc34)nc2C)c1
InChIInChI=1S/C18H15N3OS/c1-11-17(12-6-5-7-13(10-12)22-2)23-18(19-11)16-14-8-3-4-9-15(14)20-21-16/h3-10H,1-2H3,(H,20,21)
InChIKeyHFMLFIWSUOPIGU-UHFFFAOYSA-N
XLogP4.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1H-indazol-3-yl)-5-(3-methoxyphenyl)-4-methyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-{3-[(4-Methoxyphenyl)methyl]-1h-Pyrazol-5-Yl}-2,4-Dimethyl-1,3-Thiazole
CID 121595981
5-{3-[(1r)-1-(4-Methoxyphenyl)ethyl]-1h-Pyrazol-5-Yl}-2,4-Dimethyl-1,3-Thiazole
CID 121595984
5-{3-[1-(4-Methoxyphenyl)cyclopropyl]-1h-Pyrazol-5-Yl}-2,4-Dimethyl-1,3-Thiazole
CID 121595986
8,14-Dioxa-4-thia-10,19,20,23-tetrazatetracyclo[13.5.2.12,5.018,21]tricosa-1(20),2,5(23),15(22),16,18(21)-hexaen-9-one
CID 166632473
3-(5-methoxy-1H-indol-2-yl)-1H-indazole
CID 136199382
5-[5-[(1S)-1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole
CID 162650590
US20230357269, Example 135
CID 166835980
4-(3,5-difluoro-4-methoxyphenyl)-2-(1H-indazol-3-yl)-1,3-thiazole
CID 178292725
7-methoxy-2-methyl-4H-[1,3]thiazolo[5,4-b]indole
CID 949337
2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenoxy-1H-indole
CID 4443328
2-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-1H-indole
CID 135590191
2-{5-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-1,3,4-thiadiazol-2-yl}-5-phenoxy-1H-indole
CID 135637206

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-3-yl)-5-(3-methoxyphenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(1H-indazol-3-yl)-5-(3-methoxyphenyl)-4-methyl-1,3-thiazole (CID 22259146) is 2-(1H-indazol-3-yl)-5-(3-methoxyphenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(1H-indazol-3-yl)-5-(3-methoxyphenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(1H-indazol-3-yl)-5-(3-methoxyphenyl)-4-methyl-1,3-thiazole is COc1cccc(-c2sc(-c3n[nH]c4ccccc34)nc2C)c1.
What is the InChIKey of 2-(1H-indazol-3-yl)-5-(3-methoxyphenyl)-4-methyl-1,3-thiazole?
The InChIKey is HFMLFIWSUOPIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-11-17(12-6-5-7-13(10-12)22-2)23-18(19-11)16-14-8-3-4-9-15(14)20-21-16/h3-10H,1-2H3,(H,20,21).
What are the key properties of 2-(1H-indazol-3-yl)-5-(3-methoxyphenyl)-4-methyl-1,3-thiazole?
2-(1H-indazol-3-yl)-5-(3-methoxyphenyl)-4-methyl-1,3-thiazole has a molecular weight of 321.41 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-3-yl)-5-(3-methoxyphenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 22259146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).