N-[2-(4,5-dichloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2-fluorophenyl)triazole-4-carboxamide

C19H16Cl2FN7OS — CID 177043581

IUPACN-[2-(4,5-dichloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2-fluorophenyl)triazole-4-carboxamide
SMILESCn1cc(C(C)(CNC(=O)c2cn(-c3ccccc3F)nn2)c2nc(Cl)c(Cl)s2)cn1
InChIInChI=1S/C19H16Cl2FN7OS/c1-19(11-7-24-28(2)8-11,18-25-15(20)16(21)31-18)10-23-17(30)13-9-29(27-26-13)14-6-4-3-5-12(14)22/h3-9H,10H2,1-2H3,(H,23,30)
InChIKeyJQMIHALCKLEPPC-UHFFFAOYSA-N
MW480.36 g/mol
LogP3.64
Rot. Bonds6

About N-[2-(4,5-dichloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2-fluorophenyl)triazole-4-carboxamide

N-[2-(4,5-dichloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2-fluorophenyl)triazole-4-carboxamide (PubChem CID 177043581) has the molecular formula C19H16Cl2FN7OS and a molecular weight of 480.36 g/mol. Its IUPAC name is N-[2-(4,5-dichloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2-fluorophenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4,5-dichloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2-fluorophenyl)triazole-4-carboxamide
PubChem CID177043581
Molecular FormulaC19H16Cl2FN7OS
Molecular Weight480.36 g/mol
Exact Mass479.05
IUPAC NameN-[2-(4,5-dichloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2-fluorophenyl)triazole-4-carboxamide
SMILESCn1cc(C(C)(CNC(=O)c2cn(-c3ccccc3F)nn2)c2nc(Cl)c(Cl)s2)cn1
InChIInChI=1S/C19H16Cl2FN7OS/c1-19(11-7-24-28(2)8-11,18-25-15(20)16(21)31-18)10-23-17(30)13-9-29(27-26-13)14-6-4-3-5-12(14)22/h3-9H,10H2,1-2H3,(H,23,30)
InChIKeyJQMIHALCKLEPPC-UHFFFAOYSA-N
XLogP3.64
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(6-cyclopropyl-2-pyridinyl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2,4-difluorophenyl)triazole-4-carboxamide
CID 171488960
N-[2-(2,5-dichloro-1,3-thiazol-4-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 168934091
N-[2-(4-chloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 168934073
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 111458491
N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride
CID 119627298
2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111519861
1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]triazole-4-carboxamide
CID 99873774
1-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]triazole-4-carboxamide
CID 99873773
N-(2,3-dihydroxy-2-methylpropyl)-1-phenyltriazole-4-carboxamide
CID 66169267
N-[2-(4-cyano-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-2-(2,4-difluorophenyl)tetrazole-5-carboxamide
CID 177043584
N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide
CID 111335084
2-(4,5-dichloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propanenitrile
CID 168934093

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dichloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2-fluorophenyl)triazole-4-carboxamide?
The IUPAC name of N-[2-(4,5-dichloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2-fluorophenyl)triazole-4-carboxamide (CID 177043581) is N-[2-(4,5-dichloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2-fluorophenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-(4,5-dichloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2-fluorophenyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-(4,5-dichloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2-fluorophenyl)triazole-4-carboxamide is Cn1cc(C(C)(CNC(=O)c2cn(-c3ccccc3F)nn2)c2nc(Cl)c(Cl)s2)cn1.
What is the InChIKey of N-[2-(4,5-dichloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2-fluorophenyl)triazole-4-carboxamide?
The InChIKey is JQMIHALCKLEPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FN7OS/c1-19(11-7-24-28(2)8-11,18-25-15(20)16(21)31-18)10-23-17(30)13-9-29(27-26-13)14-6-4-3-5-12(14)22/h3-9H,10H2,1-2H3,(H,23,30).
What are the key properties of N-[2-(4,5-dichloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2-fluorophenyl)triazole-4-carboxamide?
N-[2-(4,5-dichloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2-fluorophenyl)triazole-4-carboxamide has a molecular weight of 480.36 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dichloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2-fluorophenyl)triazole-4-carboxamide is sourced from PubChem (CID 177043581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).