2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide

C14H16ClN3OS2 — CID 51148567

IUPAC2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2nnc(CC(C)C)s2)c1
InChIInChI=1S/C14H16ClN3OS2/c1-8(2)6-12-17-18-14(21-12)16-13(19)10-7-9(20-3)4-5-11(10)15/h4-5,7-8H,6H2,1-3H3,(H,16,18,19)
InChIKeySMZKCHDLKSKNJG-UHFFFAOYSA-N
MW341.89 g/mol
LogP4.36
Rot. Bonds5

About 2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide

2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide (PubChem CID 51148567) has the molecular formula C14H16ClN3OS2 and a molecular weight of 341.89 g/mol. Its IUPAC name is 2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide
PubChem CID51148567
Molecular FormulaC14H16ClN3OS2
Molecular Weight341.89 g/mol
Exact Mass341.04
IUPAC Name2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2nnc(CC(C)C)s2)c1
InChIInChI=1S/C14H16ClN3OS2/c1-8(2)6-12-17-18-14(21-12)16-13(19)10-7-9(20-3)4-5-11(10)15/h4-5,7-8H,6H2,1-3H3,(H,16,18,19)
InChIKeySMZKCHDLKSKNJG-UHFFFAOYSA-N
XLogP4.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 103803457
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 26068552
4-fluoro-2-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 103829678
2,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 24647679
2,3-dihydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 104931749
4-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-methylsulfonylbenzamide
CID 31289416
3,4,5-trichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 16548056
5-amino-2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 106259566
2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 102709910
3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 103871250
2-amino-6-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 106259550
4-hydrazinyl-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 106262310

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide (CID 51148567) is 2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)Nc2nnc(CC(C)C)s2)c1.
What is the InChIKey of 2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide?
The InChIKey is SMZKCHDLKSKNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS2/c1-8(2)6-12-17-18-14(21-12)16-13(19)10-7-9(20-3)4-5-11(10)15/h4-5,7-8H,6H2,1-3H3,(H,16,18,19).
What are the key properties of 2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide?
2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide has a molecular weight of 341.89 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide is sourced from PubChem (CID 51148567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).