N-(1-cyanocyclopropyl)-2-[5-[[5-(5-methylthiophen-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methyl]-1,3,4-oxadiazol-2-yl]acetamide

C20H16N6O2S2 — CID 57385860

IUPACN-(1-cyanocyclopropyl)-2-[5-[[5-(5-methylthiophen-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccc(-c2ccc3nc(Cc4nnc(CC(=O)NC5(C#N)CC5)o4)sc3n2)s1
InChIInChI=1S/C20H16N6O2S2/c1-11-2-5-14(29-11)12-3-4-13-19(23-12)30-18(22-13)9-17-26-25-16(28-17)8-15(27)24-20(10-21)6-7-20/h2-5H,6-9H2,1H3,(H,24,27)
InChIKeyLEWTZXWKUFEKCC-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.42
Rot. Bonds6

About N-(1-cyanocyclopropyl)-2-[5-[[5-(5-methylthiophen-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methyl]-1,3,4-oxadiazol-2-yl]acetamide

N-(1-cyanocyclopropyl)-2-[5-[[5-(5-methylthiophen-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 57385860) has the molecular formula C20H16N6O2S2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-2-[5-[[5-(5-methylthiophen-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-2-[5-[[5-(5-methylthiophen-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methyl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID57385860
Molecular FormulaC20H16N6O2S2
Molecular Weight436.52 g/mol
Exact Mass436.08
IUPAC NameN-(1-cyanocyclopropyl)-2-[5-[[5-(5-methylthiophen-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccc(-c2ccc3nc(Cc4nnc(CC(=O)NC5(C#N)CC5)o4)sc3n2)s1
InChIInChI=1S/C20H16N6O2S2/c1-11-2-5-14(29-11)12-3-4-13-19(23-12)30-18(22-13)9-17-26-25-16(28-17)8-15(27)24-20(10-21)6-7-20/h2-5H,6-9H2,1H3,(H,24,27)
InChIKeyLEWTZXWKUFEKCC-UHFFFAOYSA-N
XLogP3.42
TPSA117.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(1-cyanocyclopropyl)-2-[5-[[6-(5-ethylthiophen-2-yl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 70811774
N-(1-cyanocyclopropyl)-2-[5-[[5-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 70801236
2-[5-[[6-(1-benzothiophen-2-yl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]-N-(1-cyanocyclopropyl)acetamide
CID 70801348
N-(1-cyanocyclopropyl)-2-[5-[[6-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 70801350
N-(1-cyanocyclopropyl)-2-[5-[[6-(6-cyano-2-pyridinyl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 70811773
N-(1-cyanocyclopropyl)-2-[5-[[6-[3-(trifluoromethoxy)phenyl]-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 70801325
N-(1-cyanocyclopropyl)-2-[5-[[6-[5-(2,2,2-trifluoro-1-hydroxyethyl)-2,3-dihydrothiophen-2-yl]-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 70915152
N-(1-cyanocyclopropyl)-2-[5-[[4-methoxy-6-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 70801394
N-(1-cyanocyclopentyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 51100633
N-(cyanomethyl)-2-[5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 88936591
1-[3-[5-[[6-(5-chloro-2-pyridinyl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]-2-oxopropyl]cyclopropane-1-carbonitrile
CID 153055756
1-[2-oxo-3-[5-[[6-(1-phenylethyl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropane-1-carbonitrile
CID 153198692

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-2-[5-[[5-(5-methylthiophen-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopropyl)-2-[5-[[5-(5-methylthiophen-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 57385860) is N-(1-cyanocyclopropyl)-2-[5-[[5-(5-methylthiophen-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methyl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)-2-[5-[[5-(5-methylthiophen-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopropyl)-2-[5-[[5-(5-methylthiophen-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methyl]-1,3,4-oxadiazol-2-yl]acetamide is Cc1ccc(-c2ccc3nc(Cc4nnc(CC(=O)NC5(C#N)CC5)o4)sc3n2)s1.
What is the InChIKey of N-(1-cyanocyclopropyl)-2-[5-[[5-(5-methylthiophen-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is LEWTZXWKUFEKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2S2/c1-11-2-5-14(29-11)12-3-4-13-19(23-12)30-18(22-13)9-17-26-25-16(28-17)8-15(27)24-20(10-21)6-7-20/h2-5H,6-9H2,1H3,(H,24,27).
What are the key properties of N-(1-cyanocyclopropyl)-2-[5-[[5-(5-methylthiophen-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methyl]-1,3,4-oxadiazol-2-yl]acetamide?
N-(1-cyanocyclopropyl)-2-[5-[[5-(5-methylthiophen-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 436.52 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-2-[5-[[5-(5-methylthiophen-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 57385860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).