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

C16H19ClN4OS — CID 19256771

IUPACN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1nnc(-c2ccccc2Cl)s1
InChIInChI=1S/C16H19ClN4OS/c17-13-7-3-2-6-12(13)15-19-20-16(23-15)18-14(22)8-11-21-9-4-1-5-10-21/h2-3,6-7H,1,4-5,8-11H2,(H,18,20,22)
InChIKeyYQRDXKPCZWHWCP-UHFFFAOYSA-N
MW350.88 g/mol
LogP3.67
Rot. Bonds5

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

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylpropanamide (PubChem CID 19256771) has the molecular formula C16H19ClN4OS and a molecular weight of 350.88 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylpropanamide
PubChem CID19256771
Molecular FormulaC16H19ClN4OS
Molecular Weight350.88 g/mol
Exact Mass350.10
IUPAC NameN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1nnc(-c2ccccc2Cl)s1
InChIInChI=1S/C16H19ClN4OS/c17-13-7-3-2-6-12(13)15-19-20-16(23-15)18-14(22)8-11-21-9-4-1-5-10-21/h2-3,6-7H,1,4-5,8-11H2,(H,18,20,22)
InChIKeyYQRDXKPCZWHWCP-UHFFFAOYSA-N
XLogP3.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.88
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylpropanamide (CID 19256771) is N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)Nc1nnc(-c2ccccc2Cl)s1.
What is the InChIKey of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylpropanamide?
The InChIKey is YQRDXKPCZWHWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4OS/c17-13-7-3-2-6-12(13)15-19-20-16(23-15)18-14(22)8-11-21-9-4-1-5-10-21/h2-3,6-7H,1,4-5,8-11H2,(H,18,20,22).
What are the key properties of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylpropanamide?
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylpropanamide has a molecular weight of 350.88 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 19256771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).