3-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-2H-1,3-thiazole-2-carboxamide

C17H16ClF3N4O2S — CID 137377543

IUPAC3-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-2H-1,3-thiazole-2-carboxamide
SMILESNC(=O)C1SC=C(C(F)(F)F)N1c1cc2cn(C3CCOCC3)nc2cc1Cl
InChIInChI=1S/C17H16ClF3N4O2S/c18-11-6-12-9(7-24(23-12)10-1-3-27-4-2-10)5-13(11)25-14(17(19,20)21)8-28-16(25)15(22)26/h5-8,10,16H,1-4H2,(H2,22,26)
InChIKeyYVLOXRGAXAVAAG-UHFFFAOYSA-N
MW432.86 g/mol
LogP3.81
Rot. Bonds3

About 3-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-2H-1,3-thiazole-2-carboxamide

3-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-2H-1,3-thiazole-2-carboxamide (PubChem CID 137377543) has the molecular formula C17H16ClF3N4O2S and a molecular weight of 432.86 g/mol. Its IUPAC name is 3-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-2H-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name3-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-2H-1,3-thiazole-2-carboxamide
PubChem CID137377543
Molecular FormulaC17H16ClF3N4O2S
Molecular Weight432.86 g/mol
Exact Mass432.06
IUPAC Name3-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-2H-1,3-thiazole-2-carboxamide
SMILESNC(=O)C1SC=C(C(F)(F)F)N1c1cc2cn(C3CCOCC3)nc2cc1Cl
InChIInChI=1S/C17H16ClF3N4O2S/c18-11-6-12-9(7-24(23-12)10-1-3-27-4-2-10)5-13(11)25-14(17(19,20)21)8-28-16(25)15(22)26/h5-8,10,16H,1-4H2,(H2,22,26)
InChIKeyYVLOXRGAXAVAAG-UHFFFAOYSA-N
XLogP3.81
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.86
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-2H-1,3-thiazole-2-carboxamide 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

US10435396, Example 50
CID 137377542
N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]formamide
CID 134422963
2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethanone
CID 153935667
2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-N-[(3R)-piperidin-3-yl]acetamide
CID 153935680
2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 154037715
1-[6-chloro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)-2H-pyrazine-2-carboxamide
CID 170693378
2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 154037708
2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(3-piperidin-1-ylazetidin-1-yl)ethanone
CID 154037714
2-(5-Amino-6-chloroindazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 118182494
2-(5-Amino-6-chloroindazol-2-yl)-1-morpholin-4-ylethanone
CID 118182521
6-Chloro-2-(oxan-4-yl)indazol-5-amine
CID 137377432

Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-2H-1,3-thiazole-2-carboxamide?
The IUPAC name of 3-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-2H-1,3-thiazole-2-carboxamide (CID 137377543) is 3-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-2H-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 3-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-2H-1,3-thiazole-2-carboxamide?
The canonical SMILES for 3-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-2H-1,3-thiazole-2-carboxamide is NC(=O)C1SC=C(C(F)(F)F)N1c1cc2cn(C3CCOCC3)nc2cc1Cl.
What is the InChIKey of 3-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-2H-1,3-thiazole-2-carboxamide?
The InChIKey is YVLOXRGAXAVAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N4O2S/c18-11-6-12-9(7-24(23-12)10-1-3-27-4-2-10)5-13(11)25-14(17(19,20)21)8-28-16(25)15(22)26/h5-8,10,16H,1-4H2,(H2,22,26).
What are the key properties of 3-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-2H-1,3-thiazole-2-carboxamide?
3-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-2H-1,3-thiazole-2-carboxamide has a molecular weight of 432.86 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-2H-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 137377543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).