N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)cyclobutanecarboxamide

C15H18N2OS — CID 43980382

IUPACN-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)cyclobutanecarboxamide
SMILESCc1cc2s/c(=N\C(=O)C3CCC3)n(C)c2cc1C
InChIInChI=1S/C15H18N2OS/c1-9-7-12-13(8-10(9)2)19-15(17(12)3)16-14(18)11-5-4-6-11/h7-8,11H,4-6H2,1-3H3/b16-15-
InChIKeyJLYIKXUGKZDFCP-NXVVXOECSA-N
MW274.39 g/mol
LogP3.08
Rot. Bonds1

About N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)cyclobutanecarboxamide

N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)cyclobutanecarboxamide (PubChem CID 43980382) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)cyclobutanecarboxamide
PubChem CID43980382
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)cyclobutanecarboxamide
SMILESCc1cc2s/c(=N\C(=O)C3CCC3)n(C)c2cc1C
InChIInChI=1S/C15H18N2OS/c1-9-7-12-13(8-10(9)2)19-15(17(12)3)16-14(18)11-5-4-6-11/h7-8,11H,4-6H2,1-3H3/b16-15-
InChIKeyJLYIKXUGKZDFCP-NXVVXOECSA-N
XLogP3.08
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
CID 4671206
1-(benzenesulfonyl)-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide
CID 16862347
N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)cyclohexanecarboxamide
CID 42388070
1-thiophen-2-ylsulfonyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide
CID 41019461
N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
CID 5112536
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]cyclopentanecarboxamide
CID 43937645
methyl 4-[(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 40697613
4-benzyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43979722
2,5-dichloro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047770
2-(4-methylphenoxy)-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43980196
4-ethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40697618
N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
CID 43946166

Frequently Asked Questions

What is the IUPAC name of N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)cyclobutanecarboxamide?
The IUPAC name of N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)cyclobutanecarboxamide (CID 43980382) is N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)cyclobutanecarboxamide.
What is the SMILES notation for N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)cyclobutanecarboxamide?
The canonical SMILES for N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)cyclobutanecarboxamide is Cc1cc2s/c(=N\C(=O)C3CCC3)n(C)c2cc1C.
What is the InChIKey of N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)cyclobutanecarboxamide?
The InChIKey is JLYIKXUGKZDFCP-NXVVXOECSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-9-7-12-13(8-10(9)2)19-15(17(12)3)16-14(18)11-5-4-6-11/h7-8,11H,4-6H2,1-3H3/b16-15-.
What are the key properties of N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)cyclobutanecarboxamide?
N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)cyclobutanecarboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)cyclobutanecarboxamide is sourced from PubChem (CID 43980382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).