N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(1H-pyrrole-3-carbonyl)benzamide

C21H13F2N3O2S — CID 167980261

IUPACN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(1H-pyrrole-3-carbonyl)benzamide
SMILESO=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccc(C(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C21H13F2N3O2S/c22-15-5-6-17(23)16(9-15)18-11-29-21(25-18)26-20(28)13-3-1-12(2-4-13)19(27)14-7-8-24-10-14/h1-11,24H,(H,25,26,28)
InChIKeyCBJTUOWBHZPMNI-UHFFFAOYSA-N
MW409.42 g/mol
LogP4.90
Rot. Bonds5

About N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(1H-pyrrole-3-carbonyl)benzamide

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(1H-pyrrole-3-carbonyl)benzamide (PubChem CID 167980261) has the molecular formula C21H13F2N3O2S and a molecular weight of 409.42 g/mol. Its IUPAC name is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(1H-pyrrole-3-carbonyl)benzamide.

Molecular Properties

Compound NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(1H-pyrrole-3-carbonyl)benzamide
PubChem CID167980261
Molecular FormulaC21H13F2N3O2S
Molecular Weight409.42 g/mol
Exact Mass409.07
IUPAC NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(1H-pyrrole-3-carbonyl)benzamide
SMILESO=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccc(C(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C21H13F2N3O2S/c22-15-5-6-17(23)16(9-15)18-11-29-21(25-18)26-20(28)13-3-1-12(2-4-13)19(27)14-7-8-24-10-14/h1-11,24H,(H,25,26,28)
InChIKeyCBJTUOWBHZPMNI-UHFFFAOYSA-N
XLogP4.90
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905
3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4801011
4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 26704499
2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 8839157
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 3498985
5-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 26207781
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55381218
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide
CID 31116741
4-bromo-N-[3-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 26207672
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4854454
4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
CID 694785

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(1H-pyrrole-3-carbonyl)benzamide?
The IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(1H-pyrrole-3-carbonyl)benzamide (CID 167980261) is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(1H-pyrrole-3-carbonyl)benzamide.
What is the SMILES notation for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(1H-pyrrole-3-carbonyl)benzamide?
The canonical SMILES for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(1H-pyrrole-3-carbonyl)benzamide is O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccc(C(=O)c2cc[nH]c2)cc1.
What is the InChIKey of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(1H-pyrrole-3-carbonyl)benzamide?
The InChIKey is CBJTUOWBHZPMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N3O2S/c22-15-5-6-17(23)16(9-15)18-11-29-21(25-18)26-20(28)13-3-1-12(2-4-13)19(27)14-7-8-24-10-14/h1-11,24H,(H,25,26,28).
What are the key properties of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(1H-pyrrole-3-carbonyl)benzamide?
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(1H-pyrrole-3-carbonyl)benzamide has a molecular weight of 409.42 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(1H-pyrrole-3-carbonyl)benzamide is sourced from PubChem (CID 167980261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).