N-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C17H19N5O3S — CID 5308448

IUPACN-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC1CCCCN1c1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1
InChIInChI=1S/C17H19N5O3S/c1-11-6-4-5-9-21(11)16-20-19-15(26-16)18-14(23)10-22-12-7-2-3-8-13(12)25-17(22)24/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,18,19,23)
InChIKeyLIHHYZMNCFRNTP-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.46
Rot. Bonds4

About N-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 5308448) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID5308448
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC1CCCCN1c1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1
InChIInChI=1S/C17H19N5O3S/c1-11-6-4-5-9-21(11)16-20-19-15(26-16)18-14(23)10-22-12-7-2-3-8-13(12)25-17(22)24/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,18,19,23)
InChIKeyLIHHYZMNCFRNTP-UHFFFAOYSA-N
XLogP2.46
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Cyclopropanecarboxylic acid (5-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-2-oxo-ethylsulfanyl}-[1,3,4]thiadiazol-2-yl)-amide
CID 647958
Pyrrolidine-1,2-dicarboxylic acid 2-[(5-ethyl-[1,3,4]thiadiazol-2-yl)-amide] 1-[(2-methoxy-phenyl)-amide]
CID 648805
2-Ethyl-N-(5-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-2-oxo-ethylsulfanyl}-[1,3,4]thiadiazol-2-yl)-butyramide
CID 652121
2-(2-oxo-1,3-benzoxazol-3(2H)-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2201162
N-[5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 3220474
N-[5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 5308275
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-acetamide
CID 6603474
N-{5-[Bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-YL}-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-YL)acetamide
CID 6620326
N-[5-(Azepan-1-YL)-1,3,4-thiadiazol-2-YL]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-YL)acetamide
CID 11957196
Pentanoic acid (5-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-2-oxo-ethylsulfanyl}-[1,3,4]thiadiazol-2-yl)-amide
CID 646971
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide
CID 2542352
2-[[5-(2-Methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 2611782

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 5308448) is N-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CC1CCCCN1c1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1.
What is the InChIKey of N-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is LIHHYZMNCFRNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-11-6-4-5-9-21(11)16-20-19-15(26-16)18-14(23)10-22-12-7-2-3-8-13(12)25-17(22)24/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,18,19,23).
What are the key properties of N-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 373.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 5308448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).