N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide

C14H16N2OS — CID 16938450

IUPACN-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
SMILESCC(C)c1cccc2sc(NC(=O)C3CC3)nc12
InChIInChI=1S/C14H16N2OS/c1-8(2)10-4-3-5-11-12(10)15-14(18-11)16-13(17)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,15,16,17)
InChIKeyFLLXMDIAQLVMII-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.77
Rot. Bonds3

About N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide

N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (PubChem CID 16938450) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
PubChem CID16938450
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
SMILESCC(C)c1cccc2sc(NC(=O)C3CC3)nc12
InChIInChI=1S/C14H16N2OS/c1-8(2)10-4-3-5-11-12(10)15-14(18-11)16-13(17)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,15,16,17)
InChIKeyFLLXMDIAQLVMII-UHFFFAOYSA-N
XLogP3.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 121082874
N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4563812
2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 16938454
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938385
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 121028824
1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16938543
N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 42732995
4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938400
1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 16828646
N-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 82549483
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
1-(3,4-dimethylphenyl)-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 121081370

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (CID 16938450) is N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is CC(C)c1cccc2sc(NC(=O)C3CC3)nc12.
What is the InChIKey of N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is FLLXMDIAQLVMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-8(2)10-4-3-5-11-12(10)15-14(18-11)16-13(17)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,15,16,17).
What are the key properties of N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 260.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 16938450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).