N-[(2,3-dimethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide

C18H23N5O4S — CID 22513626

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
SMILESCOc1cccc(CNC(=O)CN(C)c2nnc(N3CCCC3=O)s2)c1OC
InChIInChI=1S/C18H23N5O4S/c1-22(17-20-21-18(28-17)23-9-5-8-15(23)25)11-14(24)19-10-12-6-4-7-13(26-2)16(12)27-3/h4,6-7H,5,8-11H2,1-3H3,(H,19,24)
InChIKeyWFTNZBBBBPOBIX-UHFFFAOYSA-N
MW405.48 g/mol
LogP1.43
Rot. Bonds8

About N-[(2,3-dimethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide

N-[(2,3-dimethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide (PubChem CID 22513626) has the molecular formula C18H23N5O4S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
PubChem CID22513626
Molecular FormulaC18H23N5O4S
Molecular Weight405.48 g/mol
Exact Mass405.15
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
SMILESCOc1cccc(CNC(=O)CN(C)c2nnc(N3CCCC3=O)s2)c1OC
InChIInChI=1S/C18H23N5O4S/c1-22(17-20-21-18(28-17)23-9-5-8-15(23)25)11-14(24)19-10-12-6-4-7-13(26-2)16(12)27-3/h4,6-7H,5,8-11H2,1-3H3,(H,19,24)
InChIKeyWFTNZBBBBPOBIX-UHFFFAOYSA-N
XLogP1.43
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-methoxybenzyl)-1-[5-(2-oxo-1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide
CID 22513393
(2S)-N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 92736848
(2S)-N-[(3-methoxyphenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 92750446
N-[(3,4-dimethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 46344974
2-(2,3-Dimethoxyphenyl)-3-(1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
CID 355476
1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 20958075
1-{5-[(2-{4-[(2H-1,3-Benzodioxol-5-YL)methyl]piperazin-1-YL}-2-oxoethyl)(methyl)amino]-1,3,4-thiadiazol-2-YL}pyrrolidin-2-one
CID 20958086
N-[(2,5-dimethoxyphenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 20958380
N-[(2,3-dimethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 22513420
N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 22513424
N-[(2-methoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 22513484
N-[(3-methoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 22513485

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide (CID 22513626) is N-[(2,3-dimethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide is COc1cccc(CNC(=O)CN(C)c2nnc(N3CCCC3=O)s2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The InChIKey is WFTNZBBBBPOBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4S/c1-22(17-20-21-18(28-17)23-9-5-8-15(23)25)11-14(24)19-10-12-6-4-7-13(26-2)16(12)27-3/h4,6-7H,5,8-11H2,1-3H3,(H,19,24).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
N-[(2,3-dimethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide has a molecular weight of 405.48 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide is sourced from PubChem (CID 22513626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).