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

C17H22Cl2N4OS — CID 119745133

IUPACN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1nnc(-c2ccccc2Cl)s1)C1CCNCC1.Cl
InChIInChI=1S/C17H21ClN4OS.ClH/c1-11(12-6-8-19-9-7-12)10-15(23)20-17-22-21-16(24-17)13-4-2-3-5-14(13)18;/h2-5,11-12,19H,6-10H2,1H3,(H,20,22,23);1H
InChIKeyYAFAMBUCIJLLRH-UHFFFAOYSA-N
MW401.36 g/mol
LogP4.24
Rot. Bonds5

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

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119745133) has the molecular formula C17H22Cl2N4OS and a molecular weight of 401.36 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119745133
Molecular FormulaC17H22Cl2N4OS
Molecular Weight401.36 g/mol
Exact Mass400.09
IUPAC NameN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1nnc(-c2ccccc2Cl)s1)C1CCNCC1.Cl
InChIInChI=1S/C17H21ClN4OS.ClH/c1-11(12-6-8-19-9-7-12)10-15(23)20-17-22-21-16(24-17)13-4-2-3-5-14(13)18;/h2-5,11-12,19H,6-10H2,1H3,(H,20,22,23);1H
InChIKeyYAFAMBUCIJLLRH-UHFFFAOYSA-N
XLogP4.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.36
LogP ≤ 54.24
H-Bond Donors ≤ 52
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-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119745133) is N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)Nc1nnc(-c2ccccc2Cl)s1)C1CCNCC1.Cl.
What is the InChIKey of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is YAFAMBUCIJLLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4OS.ClH/c1-11(12-6-8-19-9-7-12)10-15(23)20-17-22-21-16(24-17)13-4-2-3-5-14(13)18;/h2-5,11-12,19H,6-10H2,1H3,(H,20,22,23);1H.
What are the key properties of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 401.36 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 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-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119745133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).