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

C11H10ClN3OS — CID 80687787

IUPAC4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCN(Cc1ccccn1)c1nc(Cl)c(C=O)s1
InChIInChI=1S/C11H10ClN3OS/c1-15(6-8-4-2-3-5-13-8)11-14-10(12)9(7-16)17-11/h2-5,7H,6H2,1H3
InChIKeyIHFQWJOABFQXRC-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.64
Rot. Bonds4

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

4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 80687787) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID80687787
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCN(Cc1ccccn1)c1nc(Cl)c(C=O)s1
InChIInChI=1S/C11H10ClN3OS/c1-15(6-8-4-2-3-5-13-8)11-14-10(12)9(7-16)17-11/h2-5,7H,6H2,1H3
InChIKeyIHFQWJOABFQXRC-UHFFFAOYSA-N
XLogP2.64
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.64
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

4-ethyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765593
2-[methyl(pyridin-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62765756
4-chloro-6-[methyl(pyridin-2-ylmethyl)amino]pyrimidine-5-carbaldehyde
CID 66335136
2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 55112267
1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 55112508
2-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 62765919
6-bromo-N-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 171329025
4-(methoxymethyl)-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 107509256
3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 75515545
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine
CID 62769379
2-[(2-chlorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 63514434
6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 55229872

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde (CID 80687787) is 4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde is CN(Cc1ccccn1)c1nc(Cl)c(C=O)s1.
What is the InChIKey of 4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is IHFQWJOABFQXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-15(6-8-4-2-3-5-13-8)11-14-10(12)9(7-16)17-11/h2-5,7H,6H2,1H3.
What are the key properties of 4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde?
4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 267.74 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 80687787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).