1-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide

C9H13N3O3S2 — CID 71785504

IUPAC1-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
SMILESCc1csc(NC(=O)C2CN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C9H13N3O3S2/c1-6-5-16-9(10-6)11-8(13)7-3-12(4-7)17(2,14)15/h5,7H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyCQOCBNGXXPNDLS-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.28
Rot. Bonds3

About 1-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide

1-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide (PubChem CID 71785504) has the molecular formula C9H13N3O3S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
PubChem CID71785504
Molecular FormulaC9H13N3O3S2
Molecular Weight275.35 g/mol
Exact Mass275.04
IUPAC Name1-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
SMILESCc1csc(NC(=O)C2CN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C9H13N3O3S2/c1-6-5-16-9(10-6)11-8(13)7-3-12(4-7)17(2,14)15/h5,7H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyCQOCBNGXXPNDLS-UHFFFAOYSA-N
XLogP0.28
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide (CID 71785504) is 1-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide is Cc1csc(NC(=O)C2CN(S(C)(=O)=O)C2)n1.
What is the InChIKey of 1-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide?
The InChIKey is CQOCBNGXXPNDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S2/c1-6-5-16-9(10-6)11-8(13)7-3-12(4-7)17(2,14)15/h5,7H,3-4H2,1-2H3,(H,10,11,13).
What are the key properties of 1-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide?
1-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 71785504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).