5-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

C14H7BrF2N2OS2 — CID 26207781

IUPAC5-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccc(Br)s1
InChIInChI=1S/C14H7BrF2N2OS2/c15-12-4-3-11(22-12)13(20)19-14-18-10(6-21-14)8-5-7(16)1-2-9(8)17/h1-6H,(H,18,19,20)
InChIKeyMLRKCTYYRCBAFE-UHFFFAOYSA-N
MW401.26 g/mol
LogP5.16
Rot. Bonds3

About 5-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

5-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 26207781) has the molecular formula C14H7BrF2N2OS2 and a molecular weight of 401.26 g/mol. Its IUPAC name is 5-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID26207781
Molecular FormulaC14H7BrF2N2OS2
Molecular Weight401.26 g/mol
Exact Mass399.92
IUPAC Name5-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccc(Br)s1
InChIInChI=1S/C14H7BrF2N2OS2/c15-12-4-3-11(22-12)13(20)19-14-18-10(6-21-14)8-5-7(16)1-2-9(8)17/h1-6H,(H,18,19,20)
InChIKeyMLRKCTYYRCBAFE-UHFFFAOYSA-N
XLogP5.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.26
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 8839157
4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 26704499
5-bromo-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 4609564
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide
CID 31116741
5-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2354167
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
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(1H-pyrrole-3-carbonyl)benzamide
CID 167980261
4-bromo-N-[3-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 26207672
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-bromothiophene-2-carboxamide
CID 5080929
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524748

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 26207781) is 5-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is MLRKCTYYRCBAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF2N2OS2/c15-12-4-3-11(22-12)13(20)19-14-18-10(6-21-14)8-5-7(16)1-2-9(8)17/h1-6H,(H,18,19,20).
What are the key properties of 5-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
5-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 401.26 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 26207781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).