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

C15H18ClN3OS — CID 1451670

IUPACN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide
SMILESCCC(=O)N(CC(C)C)c1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C15H18ClN3OS/c1-4-13(20)19(9-10(2)3)15-18-17-14(21-15)11-5-7-12(16)8-6-11/h5-8,10H,4,9H2,1-3H3
InChIKeyHVVXRFYUIWQMQT-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.26
Rot. Bonds5

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

N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide (PubChem CID 1451670) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide
PubChem CID1451670
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide
SMILESCCC(=O)N(CC(C)C)c1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C15H18ClN3OS/c1-4-13(20)19(9-10(2)3)15-18-17-14(21-15)11-5-7-12(16)8-6-11/h5-8,10H,4,9H2,1-3H3
InChIKeyHVVXRFYUIWQMQT-UHFFFAOYSA-N
XLogP4.26
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.26
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]-N-(2-methylpropyl)propanamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide (CID 1451670) is N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide is CCC(=O)N(CC(C)C)c1nnc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is HVVXRFYUIWQMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-4-13(20)19(9-10(2)3)15-18-17-14(21-15)11-5-7-12(16)8-6-11/h5-8,10H,4,9H2,1-3H3.
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide?
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 323.85 g/mol, XLogP of 4.26, 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]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 1451670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).