2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide

C18H14Cl2N4O2S — CID 17311642

IUPAC2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
SMILESCCc1nnc(NC(=O)c2ccccc2NC(=O)c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C18H14Cl2N4O2S/c1-2-14-23-24-18(27-14)22-16(25)10-6-3-4-9-13(10)21-17(26)15-11(19)7-5-8-12(15)20/h3-9H,2H2,1H3,(H,21,26)(H,22,24,25)
InChIKeyJVLAXQJPNCUINE-UHFFFAOYSA-N
MW421.31 g/mol
LogP4.91
Rot. Bonds5

About 2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide

2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide (PubChem CID 17311642) has the molecular formula C18H14Cl2N4O2S and a molecular weight of 421.31 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
PubChem CID17311642
Molecular FormulaC18H14Cl2N4O2S
Molecular Weight421.31 g/mol
Exact Mass420.02
IUPAC Name2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
SMILESCCc1nnc(NC(=O)c2ccccc2NC(=O)c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C18H14Cl2N4O2S/c1-2-14-23-24-18(27-14)22-16(25)10-6-3-4-9-13(10)21-17(26)15-11(19)7-5-8-12(15)20/h3-9H,2H2,1H3,(H,21,26)(H,22,24,25)
InChIKeyJVLAXQJPNCUINE-UHFFFAOYSA-N
XLogP4.91
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.31
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546737
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylbenzoyl)amino]benzamide
CID 17311355
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methylbutanoylamino)benzamide
CID 17311855
N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide
CID 17311565
1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 22430369
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17311918
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-nitrobenzoyl)amino]benzamide
CID 17311359
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
CID 17312168
2-[(2-benzylsulfanylacetyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17312018
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 17311817
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide
CID 2475480
2-(cyanomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82179672

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide (CID 17311642) is 2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide is CCc1nnc(NC(=O)c2ccccc2NC(=O)c2c(Cl)cccc2Cl)s1.
What is the InChIKey of 2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide?
The InChIKey is JVLAXQJPNCUINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2S/c1-2-14-23-24-18(27-14)22-16(25)10-6-3-4-9-13(10)21-17(26)15-11(19)7-5-8-12(15)20/h3-9H,2H2,1H3,(H,21,26)(H,22,24,25).
What are the key properties of 2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide?
2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide has a molecular weight of 421.31 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 17311642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).