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

C17H13N3OS — CID 22259124

IUPAC2-(1H-indazol-3-yl)-4-(3-methoxyphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2csc(-c3n[nH]c4ccccc34)n2)c1
InChIInChI=1S/C17H13N3OS/c1-21-12-6-4-5-11(9-12)15-10-22-17(18-15)16-13-7-2-3-8-14(13)19-20-16/h2-10H,1H3,(H,19,20)
InChIKeyDTYQJPDRUKIYQX-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.36
Rot. Bonds3

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

2-(1H-indazol-3-yl)-4-(3-methoxyphenyl)-1,3-thiazole (PubChem CID 22259124) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(1H-indazol-3-yl)-4-(3-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1H-indazol-3-yl)-4-(3-methoxyphenyl)-1,3-thiazole
PubChem CID22259124
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name2-(1H-indazol-3-yl)-4-(3-methoxyphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2csc(-c3n[nH]c4ccccc34)n2)c1
InChIInChI=1S/C17H13N3OS/c1-21-12-6-4-5-11(9-12)15-10-22-17(18-15)16-13-7-2-3-8-14(13)19-20-16/h2-10H,1H3,(H,19,20)
InChIKeyDTYQJPDRUKIYQX-UHFFFAOYSA-N
XLogP4.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
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
5-[5-[(1S)-1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole
CID 162650590
1-[(2R)-2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 25122353
US20230357269, Example 135
CID 166835980
4-(3,5-difluoro-4-methoxyphenyl)-2-(1H-indazol-3-yl)-1,3-thiazole
CID 178292725
4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-phenyl-1H-1,2,3-triazole
CID 30849863
4-(4-fluorophenyl)-2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]-1,3-thiazole
CID 91538656
1-[5-[4-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]-2H-indazol-3-yl]-N,N-dimethylmethanamine
CID 145754887
6-fluoro-3-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole
CID 175416683
4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole
CID 175820186

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-3-yl)-4-(3-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-(1H-indazol-3-yl)-4-(3-methoxyphenyl)-1,3-thiazole (CID 22259124) is 2-(1H-indazol-3-yl)-4-(3-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(1H-indazol-3-yl)-4-(3-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-(1H-indazol-3-yl)-4-(3-methoxyphenyl)-1,3-thiazole is COc1cccc(-c2csc(-c3n[nH]c4ccccc34)n2)c1.
What is the InChIKey of 2-(1H-indazol-3-yl)-4-(3-methoxyphenyl)-1,3-thiazole?
The InChIKey is DTYQJPDRUKIYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c1-21-12-6-4-5-11(9-12)15-10-22-17(18-15)16-13-7-2-3-8-14(13)19-20-16/h2-10H,1H3,(H,19,20).
What are the key properties of 2-(1H-indazol-3-yl)-4-(3-methoxyphenyl)-1,3-thiazole?
2-(1H-indazol-3-yl)-4-(3-methoxyphenyl)-1,3-thiazole has a molecular weight of 307.38 g/mol, XLogP of 4.36, 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)-4-(3-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 22259124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).