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

C14H17N5O3S — CID 22513595

IUPACN-(furan-2-ylmethyl)-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
SMILESCN(CC(=O)NCc1ccco1)c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C14H17N5O3S/c1-18(9-11(20)15-8-10-4-3-7-22-10)13-16-17-14(23-13)19-6-2-5-12(19)21/h3-4,7H,2,5-6,8-9H2,1H3,(H,15,20)
InChIKeyJPVRBGWFEHKBKN-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.01
Rot. Bonds6

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

N-(furan-2-ylmethyl)-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide (PubChem CID 22513595) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
PubChem CID22513595
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC NameN-(furan-2-ylmethyl)-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
SMILESCN(CC(=O)NCc1ccco1)c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C14H17N5O3S/c1-18(9-11(20)15-8-10-4-3-7-22-10)13-16-17-14(23-13)19-6-2-5-12(19)21/h3-4,7H,2,5-6,8-9H2,1H3,(H,15,20)
InChIKeyJPVRBGWFEHKBKN-UHFFFAOYSA-N
XLogP1.01
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide (CID 22513595) is N-(furan-2-ylmethyl)-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide is CN(CC(=O)NCc1ccco1)c1nnc(N2CCCC2=O)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The InChIKey is JPVRBGWFEHKBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-18(9-11(20)15-8-10-4-3-7-22-10)13-16-17-14(23-13)19-6-2-5-12(19)21/h3-4,7H,2,5-6,8-9H2,1H3,(H,15,20).
What are the key properties of N-(furan-2-ylmethyl)-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
N-(furan-2-ylmethyl)-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide has a molecular weight of 335.39 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide is sourced from PubChem (CID 22513595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).