1-formyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)azetidine-2-carboxamide

C14H14N4O2S — CID 126635303

IUPAC1-formyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)azetidine-2-carboxamide
SMILESCc1nc(-c2cccnc2)sc1NC(=O)C1CCN1C=O
InChIInChI=1S/C14H14N4O2S/c1-9-13(17-12(20)11-4-6-18(11)8-19)21-14(16-9)10-3-2-5-15-7-10/h2-3,5,7-8,11H,4,6H2,1H3,(H,17,20)
InChIKeyOIDAGEYPYLNEFQ-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.68
Rot. Bonds4

About 1-formyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)azetidine-2-carboxamide

1-formyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)azetidine-2-carboxamide (PubChem CID 126635303) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-formyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)azetidine-2-carboxamide.

Molecular Properties

Compound Name1-formyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)azetidine-2-carboxamide
PubChem CID126635303
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name1-formyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)azetidine-2-carboxamide
SMILESCc1nc(-c2cccnc2)sc1NC(=O)C1CCN1C=O
InChIInChI=1S/C14H14N4O2S/c1-9-13(17-12(20)11-4-6-18(11)8-19)21-14(16-9)10-3-2-5-15-7-10/h2-3,5,7-8,11H,4,6H2,1H3,(H,17,20)
InChIKeyOIDAGEYPYLNEFQ-UHFFFAOYSA-N
XLogP1.68
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-formyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)azetidine-2-carboxamide?
The IUPAC name of 1-formyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)azetidine-2-carboxamide (CID 126635303) is 1-formyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)azetidine-2-carboxamide.
What is the SMILES notation for 1-formyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)azetidine-2-carboxamide?
The canonical SMILES for 1-formyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)azetidine-2-carboxamide is Cc1nc(-c2cccnc2)sc1NC(=O)C1CCN1C=O.
What is the InChIKey of 1-formyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)azetidine-2-carboxamide?
The InChIKey is OIDAGEYPYLNEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-9-13(17-12(20)11-4-6-18(11)8-19)21-14(16-9)10-3-2-5-15-7-10/h2-3,5,7-8,11H,4,6H2,1H3,(H,17,20).
What are the key properties of 1-formyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)azetidine-2-carboxamide?
1-formyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)azetidine-2-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)azetidine-2-carboxamide is sourced from PubChem (CID 126635303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).