2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide

C18H12Cl2N2O3S — CID 5162603

IUPAC2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H12Cl2N2O3S/c19-11-2-3-12(13(20)8-11)17(23)22-18-21-14(9-26-18)10-1-4-15-16(7-10)25-6-5-24-15/h1-4,7-9H,5-6H2,(H,21,22,23)
InChIKeyYZEZLGCULJDDME-UHFFFAOYSA-N
MW407.28 g/mol
LogP5.14
Rot. Bonds3

About 2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide

2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 5162603) has the molecular formula C18H12Cl2N2O3S and a molecular weight of 407.28 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID5162603
Molecular FormulaC18H12Cl2N2O3S
Molecular Weight407.28 g/mol
Exact Mass405.99
IUPAC Name2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H12Cl2N2O3S/c19-11-2-3-12(13(20)8-11)17(23)22-18-21-14(9-26-18)10-1-4-15-16(7-10)25-6-5-24-15/h1-4,7-9H,5-6H2,(H,21,22,23)
InChIKeyYZEZLGCULJDDME-UHFFFAOYSA-N
XLogP5.14
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.28
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 4853623
3-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 5162316
2-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 27669360
4-chloro-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 38937157
2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 5057994
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-methoxy-5-methylbenzamide
CID 34053840
2-(4-chlorophenoxy)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide
CID 5162606
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84560633
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 5079800
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 8504539
2,4-dichloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55382203
2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 3401823

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide (CID 5162603) is 2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is YZEZLGCULJDDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O3S/c19-11-2-3-12(13(20)8-11)17(23)22-18-21-14(9-26-18)10-1-4-15-16(7-10)25-6-5-24-15/h1-4,7-9H,5-6H2,(H,21,22,23).
What are the key properties of 2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide?
2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 407.28 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 5162603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).