N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide

C32H22N4O5S2 — CID 4671588

IUPACN-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
SMILESO=C(Nc1nc(-c2ccccc2O)cs1)c1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccccc4O)cs3)cc2)cc1
InChIInChI=1S/C32H22N4O5S2/c37-27-7-3-1-5-23(27)25-17-42-31(33-25)35-29(39)19-9-13-21(14-10-19)41-22-15-11-20(12-16-22)30(40)36-32-34-26(18-43-32)24-6-2-4-8-28(24)38/h1-18,37-38H,(H,33,35,39)(H,34,36,40)
InChIKeyXAYJNYPUSVXSFM-UHFFFAOYSA-N
MW606.69 g/mol
LogP7.64
Rot. Bonds8

About N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide

N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide (PubChem CID 4671588) has the molecular formula C32H22N4O5S2 and a molecular weight of 606.69 g/mol. Its IUPAC name is N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
PubChem CID4671588
Molecular FormulaC32H22N4O5S2
Molecular Weight606.69 g/mol
Exact Mass606.10
IUPAC NameN-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
SMILESO=C(Nc1nc(-c2ccccc2O)cs1)c1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccccc4O)cs3)cc2)cc1
InChIInChI=1S/C32H22N4O5S2/c37-27-7-3-1-5-23(27)25-17-42-31(33-25)35-29(39)19-9-13-21(14-10-19)41-22-15-11-20(12-16-22)30(40)36-32-34-26(18-43-32)24-6-2-4-8-28(24)38/h1-18,37-38H,(H,33,35,39)(H,34,36,40)
InChIKeyXAYJNYPUSVXSFM-UHFFFAOYSA-N
XLogP7.64
TPSA133.67 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.69
LogP ≤ 57.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 53390146
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 3542120
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4111369
4-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194946
methyl 4-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 60551769
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 5212539
4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
CID 694785
4-tert-butyl-N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 71538364
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenoxybenzamide
CID 2334070
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide?
The IUPAC name of N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide (CID 4671588) is N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide.
What is the SMILES notation for N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide?
The canonical SMILES for N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide is O=C(Nc1nc(-c2ccccc2O)cs1)c1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccccc4O)cs3)cc2)cc1.
What is the InChIKey of N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide?
The InChIKey is XAYJNYPUSVXSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N4O5S2/c37-27-7-3-1-5-23(27)25-17-42-31(33-25)35-29(39)19-9-13-21(14-10-19)41-22-15-11-20(12-16-22)30(40)36-32-34-26(18-43-32)24-6-2-4-8-28(24)38/h1-18,37-38H,(H,33,35,39)(H,34,36,40).
What are the key properties of N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide?
N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide has a molecular weight of 606.69 g/mol, XLogP of 7.64, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 4671588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).