1-[2-(1,3-benzothiazol-2-yl)phenyl]cyclopropan-1-amine

C16H14N2S — CID 117420242

IUPAC1-[2-(1,3-benzothiazol-2-yl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccccc2-c2nc3ccccc3s2)CC1
InChIInChI=1S/C16H14N2S/c17-16(9-10-16)12-6-2-1-5-11(12)15-18-13-7-3-4-8-14(13)19-15/h1-8H,9-10,17H2
InChIKeyXAZYCAJJAALEDL-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.91
Rot. Bonds2

About 1-[2-(1,3-benzothiazol-2-yl)phenyl]cyclopropan-1-amine

1-[2-(1,3-benzothiazol-2-yl)phenyl]cyclopropan-1-amine (PubChem CID 117420242) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-[2-(1,3-benzothiazol-2-yl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(1,3-benzothiazol-2-yl)phenyl]cyclopropan-1-amine
PubChem CID117420242
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name1-[2-(1,3-benzothiazol-2-yl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccccc2-c2nc3ccccc3s2)CC1
InChIInChI=1S/C16H14N2S/c17-16(9-10-16)12-6-2-1-5-11(12)15-18-13-7-3-4-8-14(13)19-15/h1-8H,9-10,17H2
InChIKeyXAZYCAJJAALEDL-UHFFFAOYSA-N
XLogP3.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(1,3-benzothiazol-2-yl)phenyl]cyclopropyl]methanamine
CID 117450469
dizinc;tetrakis(2-(1,3-benzothiazol-2-yl)phenolate)
CID 139119825
2-amino-6-(1,3-benzothiazol-2-yl)phenol
CID 135623123
1H-azirine;2-(1,3-benzothiazol-2-yl)phenol
CID 174888047
2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 1214783
4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 135218835
4-(1,3-benzothiazol-2-yl)-1-methylcyclohepta-2,4-dien-1-amine
CID 143177447
2-(2,2-dimethyl-3,4-dihydrochromen-8-yl)-1,3-benzothiazole
CID 13051686
CID 122498145
CID 122498145
5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117472107
4-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-5-amine
CID 117472108
2-[2-[[2-(1,3-benzothiazol-2-yl)phenoxy]methoxy]phenyl]-1,3-benzothiazole;zinc
CID 143715432

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzothiazol-2-yl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(1,3-benzothiazol-2-yl)phenyl]cyclopropan-1-amine (CID 117420242) is 1-[2-(1,3-benzothiazol-2-yl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(1,3-benzothiazol-2-yl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(1,3-benzothiazol-2-yl)phenyl]cyclopropan-1-amine is NC1(c2ccccc2-c2nc3ccccc3s2)CC1.
What is the InChIKey of 1-[2-(1,3-benzothiazol-2-yl)phenyl]cyclopropan-1-amine?
The InChIKey is XAZYCAJJAALEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c17-16(9-10-16)12-6-2-1-5-11(12)15-18-13-7-3-4-8-14(13)19-15/h1-8H,9-10,17H2.
What are the key properties of 1-[2-(1,3-benzothiazol-2-yl)phenyl]cyclopropan-1-amine?
1-[2-(1,3-benzothiazol-2-yl)phenyl]cyclopropan-1-amine has a molecular weight of 266.37 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzothiazol-2-yl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 117420242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).