N-(4,4-difluorocycloheptyl)-1,3-benzothiazol-6-amine

C14H16F2N2S — CID 166263533

IUPACN-(4,4-difluorocycloheptyl)-1,3-benzothiazol-6-amine
SMILESFC1(F)CCCC(Nc2ccc3ncsc3c2)CC1
InChIInChI=1S/C14H16F2N2S/c15-14(16)6-1-2-10(5-7-14)18-11-3-4-12-13(8-11)19-9-17-12/h3-4,8-10,18H,1-2,5-7H2
InChIKeyCPQBEONTWPTIIV-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.68
Rot. Bonds2

About N-(4,4-difluorocycloheptyl)-1,3-benzothiazol-6-amine

N-(4,4-difluorocycloheptyl)-1,3-benzothiazol-6-amine (PubChem CID 166263533) has the molecular formula C14H16F2N2S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(4,4-difluorocycloheptyl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(4,4-difluorocycloheptyl)-1,3-benzothiazol-6-amine
PubChem CID166263533
Molecular FormulaC14H16F2N2S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-(4,4-difluorocycloheptyl)-1,3-benzothiazol-6-amine
SMILESFC1(F)CCCC(Nc2ccc3ncsc3c2)CC1
InChIInChI=1S/C14H16F2N2S/c15-14(16)6-1-2-10(5-7-14)18-11-3-4-12-13(8-11)19-9-17-12/h3-4,8-10,18H,1-2,5-7H2
InChIKeyCPQBEONTWPTIIV-UHFFFAOYSA-N
XLogP4.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocycloheptyl)-1,3-benzothiazol-6-amine?
The IUPAC name of N-(4,4-difluorocycloheptyl)-1,3-benzothiazol-6-amine (CID 166263533) is N-(4,4-difluorocycloheptyl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(4,4-difluorocycloheptyl)-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(4,4-difluorocycloheptyl)-1,3-benzothiazol-6-amine is FC1(F)CCCC(Nc2ccc3ncsc3c2)CC1.
What is the InChIKey of N-(4,4-difluorocycloheptyl)-1,3-benzothiazol-6-amine?
The InChIKey is CPQBEONTWPTIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2S/c15-14(16)6-1-2-10(5-7-14)18-11-3-4-12-13(8-11)19-9-17-12/h3-4,8-10,18H,1-2,5-7H2.
What are the key properties of N-(4,4-difluorocycloheptyl)-1,3-benzothiazol-6-amine?
N-(4,4-difluorocycloheptyl)-1,3-benzothiazol-6-amine has a molecular weight of 282.36 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocycloheptyl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 166263533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).