1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)azetidine-3-carboxamide

C12H17N3O2S — CID 73439343

IUPAC1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)Nc2nc(C(C)C)cs2)C1
InChIInChI=1S/C12H17N3O2S/c1-7(2)10-6-18-12(13-10)14-11(17)9-4-15(5-9)8(3)16/h6-7,9H,4-5H2,1-3H3,(H,13,14,17)
InChIKeyYPTAWXLHDFHWGM-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.68
Rot. Bonds3

About 1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)azetidine-3-carboxamide

1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)azetidine-3-carboxamide (PubChem CID 73439343) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)azetidine-3-carboxamide
PubChem CID73439343
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)Nc2nc(C(C)C)cs2)C1
InChIInChI=1S/C12H17N3O2S/c1-7(2)10-6-18-12(13-10)14-11(17)9-4-15(5-9)8(3)16/h6-7,9H,4-5H2,1-3H3,(H,13,14,17)
InChIKeyYPTAWXLHDFHWGM-UHFFFAOYSA-N
XLogP1.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)azetidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)azetidine-3-carboxamide (CID 73439343) is 1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)azetidine-3-carboxamide is CC(=O)N1CC(C(=O)Nc2nc(C(C)C)cs2)C1.
What is the InChIKey of 1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)azetidine-3-carboxamide?
The InChIKey is YPTAWXLHDFHWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-7(2)10-6-18-12(13-10)14-11(17)9-4-15(5-9)8(3)16/h6-7,9H,4-5H2,1-3H3,(H,13,14,17).
What are the key properties of 1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)azetidine-3-carboxamide?
1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 73439343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).