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

C19H26N4OS — CID 119777366

IUPACN-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide
SMILESCc1ccc(Cc2nnc(NC(=O)CC(C)C3CCCNC3)s2)cc1
InChIInChI=1S/C19H26N4OS/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)
InChIKeyVIHCMLBAERAQDA-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.40
Rot. Bonds6

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

N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide (PubChem CID 119777366) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide
PubChem CID119777366
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide
SMILESCc1ccc(Cc2nnc(NC(=O)CC(C)C3CCCNC3)s2)cc1
InChIInChI=1S/C19H26N4OS/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)
InChIKeyVIHCMLBAERAQDA-UHFFFAOYSA-N
XLogP3.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.40
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;hydrochloride
CID 119777365
N-(6-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119674536
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide
CID 119779768
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119679508
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-(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-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide
CID 119718739
2-chloro-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 170911206
N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119826802
N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119769541

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide (CID 119777366) is N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide is Cc1ccc(Cc2nnc(NC(=O)CC(C)C3CCCNC3)s2)cc1.
What is the InChIKey of N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide?
The InChIKey is VIHCMLBAERAQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/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).
What are the key properties of N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide?
N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide has a molecular weight of 358.51 g/mol, XLogP of 3.40, 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 is sourced from PubChem (CID 119777366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).