N-[4-(4-fluorophenyl)-2-[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]benzamide

C34H27FN4O2S — CID 155942849

IUPACN-[4-(4-fluorophenyl)-2-[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]benzamide
SMILESCCCOc1cccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccc(F)cc3)c(NC(=O)c3ccccc3)s2)c1
InChIInChI=1S/C34H27FN4O2S/c1-2-20-41-28-15-9-12-25(21-28)30-29(22-39(38-30)27-13-7-4-8-14-27)33-36-31(23-16-18-26(35)19-17-23)34(42-33)37-32(40)24-10-5-3-6-11-24/h3-19,21-22H,2,20H2,1H3,(H,37,40)
InChIKeyDFMMUMJCFQFKLS-UHFFFAOYSA-N
MW574.68 g/mol
LogP8.51
Rot. Bonds9

About N-[4-(4-fluorophenyl)-2-[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]benzamide

N-[4-(4-fluorophenyl)-2-[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]benzamide (PubChem CID 155942849) has the molecular formula C34H27FN4O2S and a molecular weight of 574.68 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-2-[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-2-[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]benzamide
PubChem CID155942849
Molecular FormulaC34H27FN4O2S
Molecular Weight574.68 g/mol
Exact Mass574.18
IUPAC NameN-[4-(4-fluorophenyl)-2-[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]benzamide
SMILESCCCOc1cccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccc(F)cc3)c(NC(=O)c3ccccc3)s2)c1
InChIInChI=1S/C34H27FN4O2S/c1-2-20-41-28-15-9-12-25(21-28)30-29(22-39(38-30)27-13-7-4-8-14-27)33-36-31(23-16-18-26(35)19-17-23)34(42-33)37-32(40)24-10-5-3-6-11-24/h3-19,21-22H,2,20H2,1H3,(H,37,40)
InChIKeyDFMMUMJCFQFKLS-UHFFFAOYSA-N
XLogP8.51
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 58.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 90072202
3-(3-methoxyphenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856300
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-[4-(3-methoxyphenyl)thiazol-2-yl]tetrahydropyran-4-yl]methyl]benzamide
CID 127033538
Ethyl 4-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate
CID 118727556
Ethyl 4-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate
CID 118727557
Ethyl 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 118727560
2-{1-[2-(4-Methoxy-phenyl)-ethyl]-1H-pyrazol-3-yl}-4-methyl-thiazole-5-carboxylic acid 4-fluoro-benzylamide
CID 24955769
2-[2-(2-fluorophenyl)pyrazol-3-yl]-N-methyl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazole-8-carboxamide
CID 57900162
2-{1-[2-(4-fluoro-phenoxy)-ethyl]-1H-pyrazol-3-yl}-4-methyl-thiazole-5-carboxylic acid benzylamide
CID 59489552
4-methyl-2-[1-(2-phenoxy-ethyl)-1H-pyrazol-3-yl]-thiazole-5-carboxylic acid 4-fluoro-benzylamide
CID 59489553
4-(2-Fluorophenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 66855496
(E)-N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]prop-2-enamide
CID 69206891

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-2-[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]benzamide?
The IUPAC name of N-[4-(4-fluorophenyl)-2-[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]benzamide (CID 155942849) is N-[4-(4-fluorophenyl)-2-[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]benzamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-2-[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]benzamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-2-[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]benzamide is CCCOc1cccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccc(F)cc3)c(NC(=O)c3ccccc3)s2)c1.
What is the InChIKey of N-[4-(4-fluorophenyl)-2-[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]benzamide?
The InChIKey is DFMMUMJCFQFKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27FN4O2S/c1-2-20-41-28-15-9-12-25(21-28)30-29(22-39(38-30)27-13-7-4-8-14-27)33-36-31(23-16-18-26(35)19-17-23)34(42-33)37-32(40)24-10-5-3-6-11-24/h3-19,21-22H,2,20H2,1H3,(H,37,40).
What are the key properties of N-[4-(4-fluorophenyl)-2-[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]benzamide?
N-[4-(4-fluorophenyl)-2-[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]benzamide has a molecular weight of 574.68 g/mol, XLogP of 8.51, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-2-[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]benzamide is sourced from PubChem (CID 155942849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).