N-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-benzothiazol-6-amine

C16H15N3S — CID 125495213

IUPACN-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-benzothiazol-6-amine
SMILESc1cncc(-c2nc3ccc(NCC4CC4)cc3s2)c1
InChIInChI=1S/C16H15N3S/c1-2-12(10-17-7-1)16-19-14-6-5-13(8-15(14)20-16)18-9-11-3-4-11/h1-2,5-8,10-11,18H,3-4,9H2
InChIKeyKMUNBMYLIYTULY-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.18
Rot. Bonds4

About N-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-benzothiazol-6-amine

N-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-benzothiazol-6-amine (PubChem CID 125495213) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-benzothiazol-6-amine
PubChem CID125495213
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC NameN-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-benzothiazol-6-amine
SMILESc1cncc(-c2nc3ccc(NCC4CC4)cc3s2)c1
InChIInChI=1S/C16H15N3S/c1-2-12(10-17-7-1)16-19-14-6-5-13(8-15(14)20-16)18-9-11-3-4-11/h1-2,5-8,10-11,18H,3-4,9H2
InChIKeyKMUNBMYLIYTULY-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-benzothiazol-6-amine?
The IUPAC name of N-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-benzothiazol-6-amine (CID 125495213) is N-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-benzothiazol-6-amine is c1cncc(-c2nc3ccc(NCC4CC4)cc3s2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-benzothiazol-6-amine?
The InChIKey is KMUNBMYLIYTULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-2-12(10-17-7-1)16-19-14-6-5-13(8-15(14)20-16)18-9-11-3-4-11/h1-2,5-8,10-11,18H,3-4,9H2.
What are the key properties of N-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-benzothiazol-6-amine?
N-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-benzothiazol-6-amine has a molecular weight of 281.38 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 125495213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).