4-cyclopropyl-1,3-benzothiazol-2-amine

C10H10N2S — CID 54029954

IUPAC4-cyclopropyl-1,3-benzothiazol-2-amine
SMILESNc1nc2c(C3CC3)cccc2s1
InChIInChI=1S/C10H10N2S/c11-10-12-9-7(6-4-5-6)2-1-3-8(9)13-10/h1-3,6H,4-5H2,(H2,11,12)
InChIKeyLEWJILIVLFHGOF-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.76
Rot. Bonds1

About 4-cyclopropyl-1,3-benzothiazol-2-amine

4-cyclopropyl-1,3-benzothiazol-2-amine (PubChem CID 54029954) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 4-cyclopropyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-1,3-benzothiazol-2-amine
PubChem CID54029954
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name4-cyclopropyl-1,3-benzothiazol-2-amine
SMILESNc1nc2c(C3CC3)cccc2s1
InChIInChI=1S/C10H10N2S/c11-10-12-9-7(6-4-5-6)2-1-3-8(9)13-10/h1-3,6H,4-5H2,(H2,11,12)
InChIKeyLEWJILIVLFHGOF-UHFFFAOYSA-N
XLogP2.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1,3-benzothiazol-2-amine?
The IUPAC name of 4-cyclopropyl-1,3-benzothiazol-2-amine (CID 54029954) is 4-cyclopropyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-cyclopropyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-cyclopropyl-1,3-benzothiazol-2-amine is Nc1nc2c(C3CC3)cccc2s1.
What is the InChIKey of 4-cyclopropyl-1,3-benzothiazol-2-amine?
The InChIKey is LEWJILIVLFHGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c11-10-12-9-7(6-4-5-6)2-1-3-8(9)13-10/h1-3,6H,4-5H2,(H2,11,12).
What are the key properties of 4-cyclopropyl-1,3-benzothiazol-2-amine?
4-cyclopropyl-1,3-benzothiazol-2-amine has a molecular weight of 190.27 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 54029954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).