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

C19H15FN4OS — CID 118466719

IUPACN-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1cscn1
InChIInChI=1S/C19H15FN4OS/c20-9-13-5-7-14(8-6-13)10-24-17-4-2-1-3-15(17)18(23-24)22-19(25)16-11-26-12-21-16/h1-8,11-12H,9-10H2,(H,22,23,25)
InChIKeyTXPKIRLKAKGHIZ-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.26
Rot. Bonds5

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

N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 118466719) has the molecular formula C19H15FN4OS and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID118466719
Molecular FormulaC19H15FN4OS
Molecular Weight366.42 g/mol
Exact Mass366.10
IUPAC NameN-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1cscn1
InChIInChI=1S/C19H15FN4OS/c20-9-13-5-7-14(8-6-13)10-24-17-4-2-1-3-15(17)18(23-24)22-19(25)16-11-26-12-21-16/h1-8,11-12H,9-10H2,(H,22,23,25)
InChIKeyTXPKIRLKAKGHIZ-UHFFFAOYSA-N
XLogP4.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
CID 118466718
2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
CID 126603643
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide
CID 118466751
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-2-(trifluoromethoxy)benzamide
CID 126603628
N-[1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 129203011
4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
CID 118326010
2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide
CID 118335413
N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118466724
N-[1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
CID 126475209
N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide
CID 24954489
N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]benzamide
CID 126472377
N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide
CID 118335401

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide (CID 118466719) is N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1cscn1.
What is the InChIKey of N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is TXPKIRLKAKGHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4OS/c20-9-13-5-7-14(8-6-13)10-24-17-4-2-1-3-15(17)18(23-24)22-19(25)16-11-26-12-21-16/h1-8,11-12H,9-10H2,(H,22,23,25).
What are the key properties of N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide?
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118466719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).