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

C10H13N3O2S — CID 71785334

IUPAC1-acetyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)Nc2nc(C)cs2)C1
InChIInChI=1S/C10H13N3O2S/c1-6-5-16-10(11-6)12-9(15)8-3-13(4-8)7(2)14/h5,8H,3-4H2,1-2H3,(H,11,12,15)
InChIKeyYRCGLRDSFPWSAX-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.87
Rot. Bonds2

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

1-acetyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide (PubChem CID 71785334) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-acetyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
PubChem CID71785334
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name1-acetyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)Nc2nc(C)cs2)C1
InChIInChI=1S/C10H13N3O2S/c1-6-5-16-10(11-6)12-9(15)8-3-13(4-8)7(2)14/h5,8H,3-4H2,1-2H3,(H,11,12,15)
InChIKeyYRCGLRDSFPWSAX-UHFFFAOYSA-N
XLogP0.87
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 14962264
N-carbamoyl-3-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 47073418
N-[4-[1-(2-methoxyacetyl)azetidin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 73439337
N-[4-[1-(cyclobutanecarbonyl)azetidin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 95828348
N-(4-(2-(ethylamino)-2-oxoethyl)thiazol-2-yl)pivalamide
CID 41227694
1-(methylsulfonyl)-N-(4-methylthiazol-2-yl)azetidine-3-carboxamide
CID 71785504
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 18089469
N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1-pyridinyl)propanamide
CID 45815060
Methyl 3-[2-methylpropyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propanoate
CID 47084639
N-[3-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]propyl]acetamide
CID 71932191
2-methyl-N-[[2-(2-methylbutanoylamino)-1,3-thiazol-4-yl]methyl]butanamide
CID 72042405
N-(cyclopropylmethyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 72110966

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide (CID 71785334) is 1-acetyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide is CC(=O)N1CC(C(=O)Nc2nc(C)cs2)C1.
What is the InChIKey of 1-acetyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide?
The InChIKey is YRCGLRDSFPWSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-6-5-16-10(11-6)12-9(15)8-3-13(4-8)7(2)14/h5,8H,3-4H2,1-2H3,(H,11,12,15).
What are the key properties of 1-acetyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide?
1-acetyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 239.30 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 71785334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).