1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide

C26H14F4N4O2S2 — CID 4116905

IUPAC1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1
InChIInChI=1S/C26H14F4N4O2S2/c27-15-5-7-17(19(29)9-15)21-11-37-25(31-21)33-23(35)13-1-2-14(4-3-13)24(36)34-26-32-22(12-38-26)18-8-6-16(28)10-20(18)30/h1-12H,(H,31,33,35)(H,32,34,36)
InChIKeyAMFWWMJDNIVCDD-UHFFFAOYSA-N
MW554.55 g/mol
LogP6.99
Rot. Bonds6

About 1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide

1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide (PubChem CID 4116905) has the molecular formula C26H14F4N4O2S2 and a molecular weight of 554.55 g/mol. Its IUPAC name is 1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
PubChem CID4116905
Molecular FormulaC26H14F4N4O2S2
Molecular Weight554.55 g/mol
Exact Mass554.05
IUPAC Name1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1
InChIInChI=1S/C26H14F4N4O2S2/c27-15-5-7-17(19(29)9-15)21-11-37-25(31-21)33-23(35)13-1-2-14(4-3-13)24(36)34-26-32-22(12-38-26)18-8-6-16(28)10-20(18)30/h1-12H,(H,31,33,35)(H,32,34,36)
InChIKeyAMFWWMJDNIVCDD-UHFFFAOYSA-N
XLogP6.99
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.55
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 3498985
3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 1011238
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 1222040
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4202014
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-propan-2-ylurea
CID 156560492
N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 17404607
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 4135604
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(1H-pyrrole-3-carbonyl)benzamide
CID 167980261
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 2165576
4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
CID 694785
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 5065233

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide (CID 4116905) is 1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide is O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1.
What is the InChIKey of 1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide?
The InChIKey is AMFWWMJDNIVCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F4N4O2S2/c27-15-5-7-17(19(29)9-15)21-11-37-25(31-21)33-23(35)13-1-2-14(4-3-13)24(36)34-26-32-22(12-38-26)18-8-6-16(28)10-20(18)30/h1-12H,(H,31,33,35)(H,32,34,36).
What are the key properties of 1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide has a molecular weight of 554.55 g/mol, XLogP of 6.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 4116905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).