2-[methyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde

C11H11N3OS — CID 62756167

IUPAC2-[methyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCN(Cc1ccncc1)c1ncc(C=O)s1
InChIInChI=1S/C11H11N3OS/c1-14(7-9-2-4-12-5-3-9)11-13-6-10(8-15)16-11/h2-6,8H,7H2,1H3
InChIKeyLXWAYGVFQMUDPX-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.99
Rot. Bonds4

About 2-[methyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde

2-[methyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 62756167) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-[methyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[methyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID62756167
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-[methyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCN(Cc1ccncc1)c1ncc(C=O)s1
InChIInChI=1S/C11H11N3OS/c1-14(7-9-2-4-12-5-3-9)11-13-6-10(8-15)16-11/h2-6,8H,7H2,1H3
InChIKeyLXWAYGVFQMUDPX-UHFFFAOYSA-N
XLogP1.99
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-N-methyl-2-N-(pyridin-3-ylmethyl)-1,3-thiazole-2,5-diamine
CID 102767637
N,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 62766787
N-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 37144332
1-[2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]ethanone
CID 62751470
2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62753825
1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone
CID 57302328
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62751473
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine
CID 62752845
N-benzyl-5-(chloromethyl)-N-methyl-1,3-thiazol-2-amine
CID 130569174
2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62756528
[2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]methanol
CID 113387821
2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carbaldehyde
CID 65197767

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[methyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde (CID 62756167) is 2-[methyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[methyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[methyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde is CN(Cc1ccncc1)c1ncc(C=O)s1.
What is the InChIKey of 2-[methyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is LXWAYGVFQMUDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-14(7-9-2-4-12-5-3-9)11-13-6-10(8-15)16-11/h2-6,8H,7H2,1H3.
What are the key properties of 2-[methyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde?
2-[methyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 233.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62756167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).