N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide

C15H18N2OS — CID 7154092

IUPACN-(3,4-diethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
SMILESCCc1cccc2s/c(=N\C(=O)C3CC3)n(CC)c12
InChIInChI=1S/C15H18N2OS/c1-3-10-6-5-7-12-13(10)17(4-2)15(19-12)16-14(18)11-8-9-11/h5-7,11H,3-4,8-9H2,1-2H3/b16-15-
InChIKeyDNDPTHLRHJUNIM-NXVVXOECSA-N
MW274.39 g/mol
LogP3.12
Rot. Bonds3

About N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide

N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide (PubChem CID 7154092) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3,4-diethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
PubChem CID7154092
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-(3,4-diethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
SMILESCCc1cccc2s/c(=N\C(=O)C3CC3)n(CC)c12
InChIInChI=1S/C15H18N2OS/c1-3-10-6-5-7-12-13(10)17(4-2)15(19-12)16-14(18)11-8-9-11/h5-7,11H,3-4,8-9H2,1-2H3/b16-15-
InChIKeyDNDPTHLRHJUNIM-NXVVXOECSA-N
XLogP3.12
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
CID 7154096
methyl 2-[4-chloro-2-(cyclopropanecarbonylimino)-1,3-benzothiazol-3-yl]acetate
CID 7153708
4-cyano-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40691093
N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide
CID 41260572
N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
CID 2151406
4-[cyclopentyl(methyl)sulfamoyl]-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43947437
N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide
CID 41235527
N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide
CID 7154071
2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4187487
N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide
CID 7154098
N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)cyclopentanecarboxamide
CID 43945329
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
CID 2150938

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
The IUPAC name of N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide (CID 7154092) is N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide.
What is the SMILES notation for N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
The canonical SMILES for N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide is CCc1cccc2s/c(=N\C(=O)C3CC3)n(CC)c12.
What is the InChIKey of N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
The InChIKey is DNDPTHLRHJUNIM-NXVVXOECSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-10-6-5-7-12-13(10)17(4-2)15(19-12)16-14(18)11-8-9-11/h5-7,11H,3-4,8-9H2,1-2H3/b16-15-.
What are the key properties of N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide is sourced from PubChem (CID 7154092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).