N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpyridin-3-amine

C15H15N3S — CID 63329441

IUPACN-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpyridin-3-amine
SMILESCc1ccncc1NC(C)c1nc2ccccc2s1
InChIInChI=1S/C15H15N3S/c1-10-7-8-16-9-13(10)17-11(2)15-18-12-5-3-4-6-14(12)19-15/h3-9,11,17H,1-2H3
InChIKeyOWDSRCRHIXJCAR-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.17
Rot. Bonds3

About N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpyridin-3-amine

N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpyridin-3-amine (PubChem CID 63329441) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpyridin-3-amine
PubChem CID63329441
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpyridin-3-amine
SMILESCc1ccncc1NC(C)c1nc2ccccc2s1
InChIInChI=1S/C15H15N3S/c1-10-7-8-16-9-13(10)17-11(2)15-18-12-5-3-4-6-14(12)19-15/h3-9,11,17H,1-2H3
InChIKeyOWDSRCRHIXJCAR-UHFFFAOYSA-N
XLogP4.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-chloro-2-methylaniline
CID 43078348
(1R)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405707
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43181009
(1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405873
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-methoxypyridin-3-amine
CID 43721880
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,4-dichloroaniline
CID 43082359
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-4-methylaniline
CID 60930843
4-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
CID 96824409
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpyridin-3-amine
CID 114082718
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-iodo-4-methylaniline
CID 43228564
4-methyl-N-(1-naphthalen-2-ylethyl)pyridin-3-amine
CID 63329846
N-[1-(1,3-benzothiazol-2-yl)ethyl]-5-bromo-2-fluoroaniline
CID 43555330

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpyridin-3-amine?
The IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpyridin-3-amine (CID 63329441) is N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpyridin-3-amine.
What is the SMILES notation for N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpyridin-3-amine?
The canonical SMILES for N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpyridin-3-amine is Cc1ccncc1NC(C)c1nc2ccccc2s1.
What is the InChIKey of N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpyridin-3-amine?
The InChIKey is OWDSRCRHIXJCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-7-8-16-9-13(10)17-11(2)15-18-12-5-3-4-6-14(12)19-15/h3-9,11,17H,1-2H3.
What are the key properties of N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpyridin-3-amine?
N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpyridin-3-amine has a molecular weight of 269.37 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpyridin-3-amine is sourced from PubChem (CID 63329441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).