4-methyl-2-[(2S,3R)-1-pyridin-2-yl-3-pyridin-4-ylaziridin-2-yl]-1,3-thiazole

C16H14N4S — CID 101455716

IUPAC4-methyl-2-[(2S,3R)-1-pyridin-2-yl-3-pyridin-4-ylaziridin-2-yl]-1,3-thiazole
SMILESCc1csc([C@@H]2[C@@H](c3ccncc3)N2c2ccccn2)n1
InChIInChI=1S/C16H14N4S/c1-11-10-21-16(19-11)15-14(12-5-8-17-9-6-12)20(15)13-4-2-3-7-18-13/h2-10,14-15H,1H3/t14-,15+,20?/m1/s1
InChIKeyIEXQUQNHNOZKMQ-FKTKBCEVSA-N
MW294.38 g/mol
LogP3.54
Rot. Bonds3

About 4-methyl-2-[(2S,3R)-1-pyridin-2-yl-3-pyridin-4-ylaziridin-2-yl]-1,3-thiazole

4-methyl-2-[(2S,3R)-1-pyridin-2-yl-3-pyridin-4-ylaziridin-2-yl]-1,3-thiazole (PubChem CID 101455716) has the molecular formula C16H14N4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-methyl-2-[(2S,3R)-1-pyridin-2-yl-3-pyridin-4-ylaziridin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(2S,3R)-1-pyridin-2-yl-3-pyridin-4-ylaziridin-2-yl]-1,3-thiazole
PubChem CID101455716
Molecular FormulaC16H14N4S
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC Name4-methyl-2-[(2S,3R)-1-pyridin-2-yl-3-pyridin-4-ylaziridin-2-yl]-1,3-thiazole
SMILESCc1csc([C@@H]2[C@@H](c3ccncc3)N2c2ccccn2)n1
InChIInChI=1S/C16H14N4S/c1-11-10-21-16(19-11)15-14(12-5-8-17-9-6-12)20(15)13-4-2-3-7-18-13/h2-10,14-15H,1H3/t14-,15+,20?/m1/s1
InChIKeyIEXQUQNHNOZKMQ-FKTKBCEVSA-N
XLogP3.54
TPSA41.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 4-methyl-2-[(2S,3R)-1-pyridin-2-yl-3-pyridin-4-ylaziridin-2-yl]-1,3-thiazole with MolForge

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Related Compounds

(3S,5R)-2-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-1,2-oxazolidine
CID 101446878
2-[(2R,3S)-1-pyridin-3-yl-3-pyridin-4-ylaziridin-2-yl]pyridine
CID 24755732
4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride
CID 54605031
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641
2-[(3R)-2-deuterio-3-(4-methyl-1,3-thiazol-2-yl)-1-phenylaziridin-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 134998696
2-methylpyridine;pyridine
CID 19753594
1-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 133313241
(5S,7S)-5-(4-methyl-1,3-thiazol-2-yl)-7-phenyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 92563962
2-[2-methyl-5-(trifluoromethyl)pyrrolidin-1-yl]pyridine
CID 169176847
(2S)-3-pyridin-2-yl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 673215
4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 31981427
5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one
CID 20767667

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2S,3R)-1-pyridin-2-yl-3-pyridin-4-ylaziridin-2-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(2S,3R)-1-pyridin-2-yl-3-pyridin-4-ylaziridin-2-yl]-1,3-thiazole (CID 101455716) is 4-methyl-2-[(2S,3R)-1-pyridin-2-yl-3-pyridin-4-ylaziridin-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(2S,3R)-1-pyridin-2-yl-3-pyridin-4-ylaziridin-2-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(2S,3R)-1-pyridin-2-yl-3-pyridin-4-ylaziridin-2-yl]-1,3-thiazole is Cc1csc([C@@H]2[C@@H](c3ccncc3)N2c2ccccn2)n1.
What is the InChIKey of 4-methyl-2-[(2S,3R)-1-pyridin-2-yl-3-pyridin-4-ylaziridin-2-yl]-1,3-thiazole?
The InChIKey is IEXQUQNHNOZKMQ-FKTKBCEVSA-N. The full InChI is InChI=1S/C16H14N4S/c1-11-10-21-16(19-11)15-14(12-5-8-17-9-6-12)20(15)13-4-2-3-7-18-13/h2-10,14-15H,1H3/t14-,15+,20?/m1/s1.
What are the key properties of 4-methyl-2-[(2S,3R)-1-pyridin-2-yl-3-pyridin-4-ylaziridin-2-yl]-1,3-thiazole?
4-methyl-2-[(2S,3R)-1-pyridin-2-yl-3-pyridin-4-ylaziridin-2-yl]-1,3-thiazole has a molecular weight of 294.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2S,3R)-1-pyridin-2-yl-3-pyridin-4-ylaziridin-2-yl]-1,3-thiazole is sourced from PubChem (CID 101455716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).