2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine

C15H15N3S — CID 61285001

IUPAC2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine
SMILESCc1cc(NCc2csc(C)n2)c2ccccc2n1
InChIInChI=1S/C15H15N3S/c1-10-7-15(13-5-3-4-6-14(13)17-10)16-8-12-9-19-11(2)18-12/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyFCBMCJDGTWDDSU-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.92
Rot. Bonds3

About 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine

2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine (PubChem CID 61285001) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine
PubChem CID61285001
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine
SMILESCc1cc(NCc2csc(C)n2)c2ccccc2n1
InChIInChI=1S/C15H15N3S/c1-10-7-15(13-5-3-4-6-14(13)17-10)16-8-12-9-19-11(2)18-12/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyFCBMCJDGTWDDSU-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 453076
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CID 453074
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CID 11718272
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CID 13200208
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CID 141327060
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CID 1473004
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CID 44523429
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CID 71458169
CID 71458169
CID 118720253
CID 118720253
CID 453080
CID 453080
CID 51233
CID 51233

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine?
The IUPAC name of 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine (CID 61285001) is 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine.
What is the SMILES notation for 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine?
The canonical SMILES for 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine is Cc1cc(NCc2csc(C)n2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine?
The InChIKey is FCBMCJDGTWDDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-7-15(13-5-3-4-6-14(13)17-10)16-8-12-9-19-11(2)18-12/h3-7,9H,8H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine?
2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine has a molecular weight of 269.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 61285001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).