N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide

C19H13F3N4OS — CID 118335540

IUPACN-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cscn1
InChIInChI=1S/C19H13F3N4OS/c20-19(21,22)13-7-5-12(6-8-13)9-26-16-4-2-1-3-14(16)17(25-26)24-18(27)15-10-28-11-23-15/h1-8,10-11H,9H2,(H,24,25,27)
InChIKeyXDWBYGPGLWWELW-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.81
Rot. Bonds4

About N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide

N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 118335540) has the molecular formula C19H13F3N4OS and a molecular weight of 402.40 g/mol. Its IUPAC name is N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID118335540
Molecular FormulaC19H13F3N4OS
Molecular Weight402.40 g/mol
Exact Mass402.08
IUPAC NameN-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cscn1
InChIInChI=1S/C19H13F3N4OS/c20-19(21,22)13-7-5-12(6-8-13)9-26-16-4-2-1-3-14(16)17(25-26)24-18(27)15-10-28-11-23-15/h1-8,10-11H,9H2,(H,24,25,27)
InChIKeyXDWBYGPGLWWELW-UHFFFAOYSA-N
XLogP4.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide (CID 118335540) is N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cscn1.
What is the InChIKey of N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is XDWBYGPGLWWELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4OS/c20-19(21,22)13-7-5-12(6-8-13)9-26-16-4-2-1-3-14(16)17(25-26)24-18(27)15-10-28-11-23-15/h1-8,10-11H,9H2,(H,24,25,27).
What are the key properties of N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide?
N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 402.40 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118335540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).