N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-N-(2-methylpropyl)propanamide

C16H20ClN3OS — CID 1451665

IUPACN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(C(=O)C(C)C)c1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H20ClN3OS/c1-10(2)9-20(15(21)11(3)4)16-19-18-14(22-16)12-5-7-13(17)8-6-12/h5-8,10-11H,9H2,1-4H3
InChIKeyNYYWZPCAVAJTTF-UHFFFAOYSA-N
MW337.88 g/mol
LogP4.50
Rot. Bonds5

About N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-N-(2-methylpropyl)propanamide

N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-N-(2-methylpropyl)propanamide (PubChem CID 1451665) has the molecular formula C16H20ClN3OS and a molecular weight of 337.88 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-N-(2-methylpropyl)propanamide
PubChem CID1451665
Molecular FormulaC16H20ClN3OS
Molecular Weight337.88 g/mol
Exact Mass337.10
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(C(=O)C(C)C)c1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H20ClN3OS/c1-10(2)9-20(15(21)11(3)4)16-19-18-14(22-16)12-5-7-13(17)8-6-12/h5-8,10-11H,9H2,1-4H3
InChIKeyNYYWZPCAVAJTTF-UHFFFAOYSA-N
XLogP4.50
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-N-(2-methylpropyl)propanamide (CID 1451665) is N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-N-(2-methylpropyl)propanamide is CC(C)CN(C(=O)C(C)C)c1nnc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is NYYWZPCAVAJTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3OS/c1-10(2)9-20(15(21)11(3)4)16-19-18-14(22-16)12-5-7-13(17)8-6-12/h5-8,10-11H,9H2,1-4H3.
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-N-(2-methylpropyl)propanamide?
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 337.88 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 1451665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).