N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide

C20H13ClN4O3S — CID 86873602

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2Cl)cs1)c1cccc(-n2[nH]c(=O)ccc2=O)c1
InChIInChI=1S/C20H13ClN4O3S/c21-15-7-2-1-6-14(15)16-11-29-20(22-16)23-19(28)12-4-3-5-13(10-12)25-18(27)9-8-17(26)24-25/h1-11H,(H,24,26)(H,22,23,28)
InChIKeyPCVWNGJOHALVRT-UHFFFAOYSA-N
MW424.87 g/mol
LogP3.56
Rot. Bonds4

About N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide (PubChem CID 86873602) has the molecular formula C20H13ClN4O3S and a molecular weight of 424.87 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide
PubChem CID86873602
Molecular FormulaC20H13ClN4O3S
Molecular Weight424.87 g/mol
Exact Mass424.04
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2Cl)cs1)c1cccc(-n2[nH]c(=O)ccc2=O)c1
InChIInChI=1S/C20H13ClN4O3S/c21-15-7-2-1-6-14(15)16-11-29-20(22-16)23-19(28)12-4-3-5-13(10-12)25-18(27)9-8-17(26)24-25/h1-11H,(H,24,26)(H,22,23,28)
InChIKeyPCVWNGJOHALVRT-UHFFFAOYSA-N
XLogP3.56
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.87
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
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N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19195203
3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
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3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide (CID 86873602) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide is O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cccc(-n2[nH]c(=O)ccc2=O)c1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide?
The InChIKey is PCVWNGJOHALVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O3S/c21-15-7-2-1-6-14(15)16-11-29-20(22-16)23-19(28)12-4-3-5-13(10-12)25-18(27)9-8-17(26)24-25/h1-11H,(H,24,26)(H,22,23,28).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide has a molecular weight of 424.87 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide is sourced from PubChem (CID 86873602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).