4-(difluoromethoxy)-3-(thiolan-1-ylideneamino)-1,2-benzothiazole

C12H12F2N2OS2 — CID 59141895

IUPAC4-(difluoromethoxy)-3-(thiolan-1-ylideneamino)-1,2-benzothiazole
SMILESFC(F)Oc1cccc2snc(N=S3CCCC3)c12
InChIInChI=1S/C12H12F2N2OS2/c13-12(14)17-8-4-3-5-9-10(8)11(15-18-9)16-19-6-1-2-7-19/h3-5,12H,1-2,6-7H2
InChIKeyMCBSAIYUTCNMTH-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.12
Rot. Bonds3

About 4-(difluoromethoxy)-3-(thiolan-1-ylideneamino)-1,2-benzothiazole

4-(difluoromethoxy)-3-(thiolan-1-ylideneamino)-1,2-benzothiazole (PubChem CID 59141895) has the molecular formula C12H12F2N2OS2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-(thiolan-1-ylideneamino)-1,2-benzothiazole.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-(thiolan-1-ylideneamino)-1,2-benzothiazole
PubChem CID59141895
Molecular FormulaC12H12F2N2OS2
Molecular Weight302.37 g/mol
Exact Mass302.04
IUPAC Name4-(difluoromethoxy)-3-(thiolan-1-ylideneamino)-1,2-benzothiazole
SMILESFC(F)Oc1cccc2snc(N=S3CCCC3)c12
InChIInChI=1S/C12H12F2N2OS2/c13-12(14)17-8-4-3-5-9-10(8)11(15-18-9)16-19-6-1-2-7-19/h3-5,12H,1-2,6-7H2
InChIKeyMCBSAIYUTCNMTH-UHFFFAOYSA-N
XLogP4.12
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-(thiolan-1-ylideneamino)-1,2-benzothiazole?
The IUPAC name of 4-(difluoromethoxy)-3-(thiolan-1-ylideneamino)-1,2-benzothiazole (CID 59141895) is 4-(difluoromethoxy)-3-(thiolan-1-ylideneamino)-1,2-benzothiazole.
What is the SMILES notation for 4-(difluoromethoxy)-3-(thiolan-1-ylideneamino)-1,2-benzothiazole?
The canonical SMILES for 4-(difluoromethoxy)-3-(thiolan-1-ylideneamino)-1,2-benzothiazole is FC(F)Oc1cccc2snc(N=S3CCCC3)c12.
What is the InChIKey of 4-(difluoromethoxy)-3-(thiolan-1-ylideneamino)-1,2-benzothiazole?
The InChIKey is MCBSAIYUTCNMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2OS2/c13-12(14)17-8-4-3-5-9-10(8)11(15-18-9)16-19-6-1-2-7-19/h3-5,12H,1-2,6-7H2.
What are the key properties of 4-(difluoromethoxy)-3-(thiolan-1-ylideneamino)-1,2-benzothiazole?
4-(difluoromethoxy)-3-(thiolan-1-ylideneamino)-1,2-benzothiazole has a molecular weight of 302.37 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-(thiolan-1-ylideneamino)-1,2-benzothiazole is sourced from PubChem (CID 59141895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).