6-[[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbaldehyde

C14H13N5OS — CID 144984103

IUPAC6-[[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbaldehyde
SMILESCc1nn(C)cc1-c1csc(Nc2ccc(C=O)cn2)n1
InChIInChI=1S/C14H13N5OS/c1-9-11(6-19(2)18-9)12-8-21-14(16-12)17-13-4-3-10(7-20)5-15-13/h3-8H,1-2H3,(H,15,16,17)
InChIKeyVVQLFSQGNPUVMZ-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.80
Rot. Bonds4

About 6-[[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbaldehyde

6-[[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbaldehyde (PubChem CID 144984103) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 6-[[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbaldehyde
PubChem CID144984103
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name6-[[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbaldehyde
SMILESCc1nn(C)cc1-c1csc(Nc2ccc(C=O)cn2)n1
InChIInChI=1S/C14H13N5OS/c1-9-11(6-19(2)18-9)12-8-21-14(16-12)17-13-4-3-10(7-20)5-15-13/h3-8H,1-2H3,(H,15,16,17)
InChIKeyVVQLFSQGNPUVMZ-UHFFFAOYSA-N
XLogP2.80
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 63931625
4-(2,5-dimethylpyrazol-3-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 144983968
4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 25205063
[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol
CID 65194289
1-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanone
CID 65194405
N-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-(2-methylbenzimidazol-1-yl)butanamide
CID 46975496
3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 65197444
3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498363
4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]-3-methylphenol
CID 177179832
N-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 973178
4-(4-fluorophenyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 972745
N,4-bis(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 163268876

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbaldehyde?
The IUPAC name of 6-[[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbaldehyde (CID 144984103) is 6-[[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbaldehyde is Cc1nn(C)cc1-c1csc(Nc2ccc(C=O)cn2)n1.
What is the InChIKey of 6-[[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbaldehyde?
The InChIKey is VVQLFSQGNPUVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-9-11(6-19(2)18-9)12-8-21-14(16-12)17-13-4-3-10(7-20)5-15-13/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of 6-[[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbaldehyde?
6-[[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbaldehyde has a molecular weight of 299.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 144984103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).