2,4-dichloro-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

C14H15Cl2N3OS — CID 17319637

IUPAC2,4-dichloro-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCC(C)(C)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C14H15Cl2N3OS/c1-4-14(2,3)12-18-19-13(21-12)17-11(20)9-6-5-8(15)7-10(9)16/h5-7H,4H2,1-3H3,(H,17,19,20)
InChIKeyRLRAEMKVYZCHKX-UHFFFAOYSA-N
MW344.27 g/mol
LogP4.78
Rot. Bonds4

About 2,4-dichloro-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

2,4-dichloro-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 17319637) has the molecular formula C14H15Cl2N3OS and a molecular weight of 344.27 g/mol. Its IUPAC name is 2,4-dichloro-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID17319637
Molecular FormulaC14H15Cl2N3OS
Molecular Weight344.27 g/mol
Exact Mass343.03
IUPAC Name2,4-dichloro-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCC(C)(C)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C14H15Cl2N3OS/c1-4-14(2,3)12-18-19-13(21-12)17-11(20)9-6-5-8(15)7-10(9)16/h5-7H,4H2,1-3H3,(H,17,19,20)
InChIKeyRLRAEMKVYZCHKX-UHFFFAOYSA-N
XLogP4.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 17321003
2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1251878
2,4-dichloro-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide
CID 54787210
3-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319774
2,2-dimethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17320669
N-[5-(butan-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,4-dichlorobenzamide
CID 133199546
2,4-dichloro-N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3310673
2,4-dichloro-N-[5-[(2,5-diethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100612471
[4-[[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl] acetate
CID 17320140
2,4-dichloro-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 31265818
2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-2-yl]benzamide
CID 55636626
2,4-dichloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 13041524

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide (CID 17319637) is 2,4-dichloro-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide is CCC(C)(C)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 2,4-dichloro-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is RLRAEMKVYZCHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3OS/c1-4-14(2,3)12-18-19-13(21-12)17-11(20)9-6-5-8(15)7-10(9)16/h5-7H,4H2,1-3H3,(H,17,19,20).
What are the key properties of 2,4-dichloro-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
2,4-dichloro-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 344.27 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 17319637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).