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

C19H27ClN4OS — CID 119777365

IUPACN-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1ccc(Cc2nnc(NC(=O)CC(C)C3CCCNC3)s2)cc1.Cl
InChIInChI=1S/C19H26N4OS.ClH/c1-13-5-7-15(8-6-13)11-18-22-23-19(25-18)21-17(24)10-14(2)16-4-3-9-20-12-16;/h5-8,14,16,20H,3-4,9-12H2,1-2H3,(H,21,23,24);1H
InChIKeyJJSFBUZQLRJZDP-UHFFFAOYSA-N
MW394.97 g/mol
LogP3.82
Rot. Bonds6

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

N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119777365) has the molecular formula C19H27ClN4OS and a molecular weight of 394.97 g/mol. Its IUPAC name is N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119777365
Molecular FormulaC19H27ClN4OS
Molecular Weight394.97 g/mol
Exact Mass394.16
IUPAC NameN-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1ccc(Cc2nnc(NC(=O)CC(C)C3CCCNC3)s2)cc1.Cl
InChIInChI=1S/C19H26N4OS.ClH/c1-13-5-7-15(8-6-13)11-18-22-23-19(25-18)21-17(24)10-14(2)16-4-3-9-20-12-16;/h5-8,14,16,20H,3-4,9-12H2,1-2H3,(H,21,23,24);1H
InChIKeyJJSFBUZQLRJZDP-UHFFFAOYSA-N
XLogP3.82
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.97
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide
CID 119777366
N-(6-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119674536
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119679508
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide
CID 119779768
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598
N-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119679567
N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119826802
N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119769541
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide
CID 119677065
3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide
CID 107588596
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119816636
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide
CID 119718739

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119777365) is N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride is Cc1ccc(Cc2nnc(NC(=O)CC(C)C3CCCNC3)s2)cc1.Cl.
What is the InChIKey of N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is JJSFBUZQLRJZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS.ClH/c1-13-5-7-15(8-6-13)11-18-22-23-19(25-18)21-17(24)10-14(2)16-4-3-9-20-12-16;/h5-8,14,16,20H,3-4,9-12H2,1-2H3,(H,21,23,24);1H.
What are the key properties of N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 394.97 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119777365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).