N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide

C11H12N2OS — CID 605659

IUPACN-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESCCC(=O)/N=c1\sc2ccccc2n1C
InChIInChI=1S/C11H12N2OS/c1-3-10(14)12-11-13(2)8-6-4-5-7-9(8)15-11/h4-7H,3H2,1-2H3/b12-11-
InChIKeyAPNFPNVTBGCDEV-QXMHVHEDSA-N
MW220.30 g/mol
LogP2.08
Rot. Bonds1

About N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide

N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide (PubChem CID 605659) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide
PubChem CID605659
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameN-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESCCC(=O)/N=c1\sc2ccccc2n1C
InChIInChI=1S/C11H12N2OS/c1-3-10(14)12-11-13(2)8-6-4-5-7-9(8)15-11/h4-7H,3H2,1-2H3/b12-11-
InChIKeyAPNFPNVTBGCDEV-QXMHVHEDSA-N
XLogP2.08
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
The IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide (CID 605659) is N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide.
What is the SMILES notation for N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
The canonical SMILES for N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide is CCC(=O)/N=c1\sc2ccccc2n1C.
What is the InChIKey of N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
The InChIKey is APNFPNVTBGCDEV-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-3-10(14)12-11-13(2)8-6-4-5-7-9(8)15-11/h4-7H,3H2,1-2H3/b12-11-.
What are the key properties of N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide has a molecular weight of 220.30 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide is sourced from PubChem (CID 605659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).