N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(1,3-oxazol-5-ylmethyl)cyclohexanecarboxamide

C20H23N3O2S — CID 162380124

IUPACN-(6-ethyl-1,3-benzothiazol-2-yl)-N-(1,3-oxazol-5-ylmethyl)cyclohexanecarboxamide
SMILESCCc1ccc2nc(N(Cc3cnco3)C(=O)C3CCCCC3)sc2c1
InChIInChI=1S/C20H23N3O2S/c1-2-14-8-9-17-18(10-14)26-20(22-17)23(12-16-11-21-13-25-16)19(24)15-6-4-3-5-7-15/h8-11,13,15H,2-7,12H2,1H3
InChIKeyBAZBTIKGICQOIV-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.96
Rot. Bonds5

About N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(1,3-oxazol-5-ylmethyl)cyclohexanecarboxamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(1,3-oxazol-5-ylmethyl)cyclohexanecarboxamide (PubChem CID 162380124) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(1,3-oxazol-5-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(6-ethyl-1,3-benzothiazol-2-yl)-N-(1,3-oxazol-5-ylmethyl)cyclohexanecarboxamide
PubChem CID162380124
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-(6-ethyl-1,3-benzothiazol-2-yl)-N-(1,3-oxazol-5-ylmethyl)cyclohexanecarboxamide
SMILESCCc1ccc2nc(N(Cc3cnco3)C(=O)C3CCCCC3)sc2c1
InChIInChI=1S/C20H23N3O2S/c1-2-14-8-9-17-18(10-14)26-20(22-17)23(12-16-11-21-13-25-16)19(24)15-6-4-3-5-7-15/h8-11,13,15H,2-7,12H2,1H3
InChIKeyBAZBTIKGICQOIV-UHFFFAOYSA-N
XLogP4.96
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(1,3-oxazol-5-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(1,3-oxazol-5-ylmethyl)cyclohexanecarboxamide (CID 162380124) is N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(1,3-oxazol-5-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(1,3-oxazol-5-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(1,3-oxazol-5-ylmethyl)cyclohexanecarboxamide is CCc1ccc2nc(N(Cc3cnco3)C(=O)C3CCCCC3)sc2c1.
What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(1,3-oxazol-5-ylmethyl)cyclohexanecarboxamide?
The InChIKey is BAZBTIKGICQOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-2-14-8-9-17-18(10-14)26-20(22-17)23(12-16-11-21-13-25-16)19(24)15-6-4-3-5-7-15/h8-11,13,15H,2-7,12H2,1H3.
What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(1,3-oxazol-5-ylmethyl)cyclohexanecarboxamide?
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(1,3-oxazol-5-ylmethyl)cyclohexanecarboxamide has a molecular weight of 369.49 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(1,3-oxazol-5-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 162380124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).