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

C15H16ClN3OS — CID 1451661

IUPACN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclopropanecarboxamide
SMILESCCCN(C(=O)C1CC1)c1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C15H16ClN3OS/c1-2-9-19(14(20)11-3-4-11)15-18-17-13(21-15)10-5-7-12(16)8-6-10/h5-8,11H,2-4,9H2,1H3
InChIKeyIYBIFXMGIRBTCJ-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.01
Rot. Bonds5

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

N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclopropanecarboxamide (PubChem CID 1451661) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclopropanecarboxamide
PubChem CID1451661
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclopropanecarboxamide
SMILESCCCN(C(=O)C1CC1)c1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C15H16ClN3OS/c1-2-9-19(14(20)11-3-4-11)15-18-17-13(21-15)10-5-7-12(16)8-6-10/h5-8,11H,2-4,9H2,1H3
InChIKeyIYBIFXMGIRBTCJ-UHFFFAOYSA-N
XLogP4.01
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.01
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-propylcyclopropanecarboxamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclopropanecarboxamide (CID 1451661) is N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclopropanecarboxamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclopropanecarboxamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclopropanecarboxamide is CCCN(C(=O)C1CC1)c1nnc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclopropanecarboxamide?
The InChIKey is IYBIFXMGIRBTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-2-9-19(14(20)11-3-4-11)15-18-17-13(21-15)10-5-7-12(16)8-6-10/h5-8,11H,2-4,9H2,1H3.
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclopropanecarboxamide?
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclopropanecarboxamide has a molecular weight of 321.83 g/mol, XLogP of 4.01, 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-propylcyclopropanecarboxamide is sourced from PubChem (CID 1451661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).