N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

C20H16ClFN4OS — CID 118466724

IUPACN-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1nn(Cc2ccc(CF)cc2)c2cccc(Cl)c12
InChIInChI=1S/C20H16ClFN4OS/c1-12-18(28-11-23-12)20(27)24-19-17-15(21)3-2-4-16(17)26(25-19)10-14-7-5-13(9-22)6-8-14/h2-8,11H,9-10H2,1H3,(H,24,25,27)
InChIKeyZMQKHIRLZHKWIC-UHFFFAOYSA-N
MW414.89 g/mol
LogP5.22
Rot. Bonds5

About N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 118466724) has the molecular formula C20H16ClFN4OS and a molecular weight of 414.89 g/mol. Its IUPAC name is N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID118466724
Molecular FormulaC20H16ClFN4OS
Molecular Weight414.89 g/mol
Exact Mass414.07
IUPAC NameN-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1nn(Cc2ccc(CF)cc2)c2cccc(Cl)c12
InChIInChI=1S/C20H16ClFN4OS/c1-12-18(28-11-23-12)20(27)24-19-17-15(21)3-2-4-16(17)26(25-19)10-14-7-5-13(9-22)6-8-14/h2-8,11H,9-10H2,1H3,(H,24,25,27)
InChIKeyZMQKHIRLZHKWIC-UHFFFAOYSA-N
XLogP5.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.89
LogP ≤ 55.22
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
N-(3-chloro-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 103892877
4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-amine
CID 118466756
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide
CID 118466719
N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide
CID 129202997
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide
CID 118466751
4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 71938362
2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
CID 126603643
4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 43601937
N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118335603
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-2-(trifluoromethoxy)benzamide
CID 126603628
N-(4-chloro-1-methylindazol-3-yl)-2-(methylamino)acetamide
CID 123892807

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 118466724) is N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1nn(Cc2ccc(CF)cc2)c2cccc(Cl)c12.
What is the InChIKey of N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZMQKHIRLZHKWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4OS/c1-12-18(28-11-23-12)20(27)24-19-17-15(21)3-2-4-16(17)26(25-19)10-14-7-5-13(9-22)6-8-14/h2-8,11H,9-10H2,1H3,(H,24,25,27).
What are the key properties of N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118466724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).