N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]phenoxy]benzamide

C28H16F2N4O3S2 — CID 4125570

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]phenoxy]benzamide
SMILESO=C(Nc1nc2ccc(F)cc2s1)c1ccc(Oc2ccc(C(=O)Nc3nc4ccc(F)cc4s3)cc2)cc1
InChIInChI=1S/C28H16F2N4O3S2/c29-17-5-11-21-23(13-17)38-27(31-21)33-25(35)15-1-7-19(8-2-15)37-20-9-3-16(4-10-20)26(36)34-28-32-22-12-6-18(30)14-24(22)39-28/h1-14H,(H,31,33,35)(H,32,34,36)
InChIKeyBHKVDPNUACHNJN-UHFFFAOYSA-N
MW558.59 g/mol
LogP7.48
Rot. Bonds6

About N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]phenoxy]benzamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]phenoxy]benzamide (PubChem CID 4125570) has the molecular formula C28H16F2N4O3S2 and a molecular weight of 558.59 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]phenoxy]benzamide
PubChem CID4125570
Molecular FormulaC28H16F2N4O3S2
Molecular Weight558.59 g/mol
Exact Mass558.06
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]phenoxy]benzamide
SMILESO=C(Nc1nc2ccc(F)cc2s1)c1ccc(Oc2ccc(C(=O)Nc3nc4ccc(F)cc4s3)cc2)cc1
InChIInChI=1S/C28H16F2N4O3S2/c29-17-5-11-21-23(13-17)38-27(31-21)33-25(35)15-1-7-19(8-2-15)37-20-9-3-16(4-10-20)26(36)34-28-32-22-12-6-18(30)14-24(22)39-28/h1-14H,(H,31,33,35)(H,32,34,36)
InChIKeyBHKVDPNUACHNJN-UHFFFAOYSA-N
XLogP7.48
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.59
LogP ≤ 57.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]phenoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
N-(1,3-benzothiazol-2-yl)-3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamide
CID 145965101
N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 786111
N-(1,3-benzothiazol-2-yl)-N'-(4-propoxybenzoyl)thiourea
CID 1719089
4-benzoyl-N-(6-methoxybenzo[d]thiazol-2-yl)benzamide
CID 1548163
N-(6-trifluoromethylbenzothiazole-2-yl)-2-(4-methoxyphenyl)acetamide
CID 77106257
N-(6-methoxybenzo[d]thiazol-2-yl)-4-(4-(prop-2-yn-1-yloxy)benzoyl)benzamide
CID 110876891

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]phenoxy]benzamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]phenoxy]benzamide (CID 4125570) is N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]phenoxy]benzamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]phenoxy]benzamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]phenoxy]benzamide is O=C(Nc1nc2ccc(F)cc2s1)c1ccc(Oc2ccc(C(=O)Nc3nc4ccc(F)cc4s3)cc2)cc1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]phenoxy]benzamide?
The InChIKey is BHKVDPNUACHNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16F2N4O3S2/c29-17-5-11-21-23(13-17)38-27(31-21)33-25(35)15-1-7-19(8-2-15)37-20-9-3-16(4-10-20)26(36)34-28-32-22-12-6-18(30)14-24(22)39-28/h1-14H,(H,31,33,35)(H,32,34,36).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]phenoxy]benzamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]phenoxy]benzamide has a molecular weight of 558.59 g/mol, XLogP of 7.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 4125570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).