5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole

C11H7ClFN3S2 — CID 175750890

IUPAC5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole
SMILESCSc1c(F)c(Cl)c(-c2cncs2)c2cn[nH]c12
InChIInChI=1S/C11H7ClFN3S2/c1-17-11-9(13)8(12)7(6-3-14-4-18-6)5-2-15-16-10(5)11/h2-4H,1H3,(H,15,16)
InChIKeyDVIARAAUVRPQTI-UHFFFAOYSA-N
MW299.78 g/mol
LogP4.20
Rot. Bonds2

About 5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole

5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole (PubChem CID 175750890) has the molecular formula C11H7ClFN3S2 and a molecular weight of 299.78 g/mol. Its IUPAC name is 5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole
PubChem CID175750890
Molecular FormulaC11H7ClFN3S2
Molecular Weight299.78 g/mol
Exact Mass298.98
IUPAC Name5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole
SMILESCSc1c(F)c(Cl)c(-c2cncs2)c2cn[nH]c12
InChIInChI=1S/C11H7ClFN3S2/c1-17-11-9(13)8(12)7(6-3-14-4-18-6)5-2-15-16-10(5)11/h2-4H,1H3,(H,15,16)
InChIKeyDVIARAAUVRPQTI-UHFFFAOYSA-N
XLogP4.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N,N,5-trimethyl-4-(1,3-thiazol-5-yl)-1H-indazol-7-amine
CID 175750898
N-[6-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718079
5-chloro-6-fluoro-7-methyl-4-(2-methylimidazo[1,2-a]pyridin-6-yl)-1H-indazole
CID 163221063
4-bromo-6-fluoro-N,N-dimethyl-5-methylsulfanyl-1H-indazol-7-amine
CID 163220447
(4-fluoro-5-methyl-1H-indazol-7-yl) thiohypochlorite
CID 164573640
methyl 4-(2-aminoimidazo[1,2-a]pyridin-6-yl)-5-chloro-6-fluoro-1H-indazole-7-carboxylate
CID 163221409
5-chloro-6-fluoro-N,N-dimethyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazol-7-amine
CID 163221163
cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(2-methoxyethylsulfanyl)-1H-indazol-4-yl]-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718042
potassium;5-chloro-6-fluoro-4-[2-[methyl(oxido)amino]imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxamide;cyclopropane
CID 163221281
5-[2,6-ditert-butyl-5-(1,3-thiazol-5-yl)naphthalen-1-yl]-1,3-thiazole
CID 169050430
1-[5-chloro-6-fluoro-4-[(Z)-1-(methylideneamino)prop-1-enyl]-1H-indazol-7-yl]ethanamine
CID 163220698
N-[6-[5-chloro-6-fluoro-7-(2-hydroxypropan-2-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide
CID 163221360

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole?
The IUPAC name of 5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole (CID 175750890) is 5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole?
The canonical SMILES for 5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole is CSc1c(F)c(Cl)c(-c2cncs2)c2cn[nH]c12.
What is the InChIKey of 5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole?
The InChIKey is DVIARAAUVRPQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3S2/c1-17-11-9(13)8(12)7(6-3-14-4-18-6)5-2-15-16-10(5)11/h2-4H,1H3,(H,15,16).
What are the key properties of 5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole?
5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole has a molecular weight of 299.78 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 175750890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).