N-(1,3-benzothiazol-2-yl)-3-cyano-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C20H17N3O2S — CID 8780852

IUPACN-(1,3-benzothiazol-2-yl)-3-cyano-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESN#Cc1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)c1
InChIInChI=1S/C20H17N3O2S/c21-12-14-5-3-6-15(11-14)19(24)23(13-16-7-4-10-25-16)20-22-17-8-1-2-9-18(17)26-20/h1-3,5-6,8-9,11,16H,4,7,10,13H2/t16-/m0/s1
InChIKeyNWYIWVLDUAZEFE-INIZCTEOSA-N
MW363.44 g/mol
LogP3.99
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-3-cyano-N-[[(2S)-oxolan-2-yl]methyl]benzamide

N-(1,3-benzothiazol-2-yl)-3-cyano-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 8780852) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-cyano-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-cyano-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID8780852
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-cyano-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESN#Cc1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)c1
InChIInChI=1S/C20H17N3O2S/c21-12-14-5-3-6-15(11-14)19(24)23(13-16-7-4-10-25-16)20-22-17-8-1-2-9-18(17)26-20/h1-3,5-6,8-9,11,16H,4,7,10,13H2/t16-/m0/s1
InChIKeyNWYIWVLDUAZEFE-INIZCTEOSA-N
XLogP3.99
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 4885151
3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41167603
4-cyano-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8703108
N-(1,3-benzothiazol-2-yl)-5-bromo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 35770337
N-(1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 26115916
N-(1,3-benzothiazol-2-yl)-3-methyl-4-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8780893
N-(1,3-benzothiazol-2-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 42589892
N-(1,3-benzothiazol-2-yl)-6-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 31111341
N-(1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 8023198
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7830890
N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)quinoline-5-carboxamide
CID 55487046
N-(1,3-benzothiazol-2-yl)-3,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide
CID 26116057

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-cyano-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-cyano-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 8780852) is N-(1,3-benzothiazol-2-yl)-3-cyano-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-cyano-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-cyano-N-[[(2S)-oxolan-2-yl]methyl]benzamide is N#Cc1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-cyano-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is NWYIWVLDUAZEFE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H17N3O2S/c21-12-14-5-3-6-15(11-14)19(24)23(13-16-7-4-10-25-16)20-22-17-8-1-2-9-18(17)26-20/h1-3,5-6,8-9,11,16H,4,7,10,13H2/t16-/m0/s1.
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-cyano-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
N-(1,3-benzothiazol-2-yl)-3-cyano-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 363.44 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-cyano-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 8780852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).