6-ethoxy-N-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazol-2-amine

C13H13F3N2OS — CID 106219318

IUPAC6-ethoxy-N-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NC3(C(F)(F)F)CC3)sc2c1
InChIInChI=1S/C13H13F3N2OS/c1-2-19-8-3-4-9-10(7-8)20-11(17-9)18-12(5-6-12)13(14,15)16/h3-4,7H,2,5-6H2,1H3,(H,17,18)
InChIKeyKJMHCASDZPIZSP-UHFFFAOYSA-N
MW302.32 g/mol
LogP4.20
Rot. Bonds4

About 6-ethoxy-N-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazol-2-amine

6-ethoxy-N-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazol-2-amine (PubChem CID 106219318) has the molecular formula C13H13F3N2OS and a molecular weight of 302.32 g/mol. Its IUPAC name is 6-ethoxy-N-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazol-2-amine
PubChem CID106219318
Molecular FormulaC13H13F3N2OS
Molecular Weight302.32 g/mol
Exact Mass302.07
IUPAC Name6-ethoxy-N-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NC3(C(F)(F)F)CC3)sc2c1
InChIInChI=1S/C13H13F3N2OS/c1-2-19-8-3-4-9-10(7-8)20-11(17-9)18-12(5-6-12)13(14,15)16/h3-4,7H,2,5-6H2,1H3,(H,17,18)
InChIKeyKJMHCASDZPIZSP-UHFFFAOYSA-N
XLogP4.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-N-(1-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79518738
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484
6-ethoxy-N-(5-methylhexan-2-yl)-1,3-benzothiazol-2-amine
CID 79518155
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 79518870
N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 60640590
6-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906844
1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 79518142
6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 79518749
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 2528625
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014465

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-ethoxy-N-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazol-2-amine (CID 106219318) is 6-ethoxy-N-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-ethoxy-N-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-ethoxy-N-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazol-2-amine is CCOc1ccc2nc(NC3(C(F)(F)F)CC3)sc2c1.
What is the InChIKey of 6-ethoxy-N-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazol-2-amine?
The InChIKey is KJMHCASDZPIZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2OS/c1-2-19-8-3-4-9-10(7-8)20-11(17-9)18-12(5-6-12)13(14,15)16/h3-4,7H,2,5-6H2,1H3,(H,17,18).
What are the key properties of 6-ethoxy-N-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazol-2-amine?
6-ethoxy-N-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazol-2-amine has a molecular weight of 302.32 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 106219318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).