2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-(2-oxoazetidin-3-yl)acetamide

C10H11ClN4O3S — CID 13212056

IUPAC2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-(2-oxoazetidin-3-yl)acetamide
SMILESO=C(CCl)Nc1nc(CC(=O)NC2CNC2=O)cs1
InChIInChI=1S/C10H11ClN4O3S/c11-2-8(17)15-10-13-5(4-19-10)1-7(16)14-6-3-12-9(6)18/h4,6H,1-3H2,(H,12,18)(H,14,16)(H,13,15,17)
InChIKeyZACUAUXGVKJSOR-UHFFFAOYSA-N
MW302.74 g/mol
LogP-0.52
Rot. Bonds5

About 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-(2-oxoazetidin-3-yl)acetamide

2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-(2-oxoazetidin-3-yl)acetamide (PubChem CID 13212056) has the molecular formula C10H11ClN4O3S and a molecular weight of 302.74 g/mol. Its IUPAC name is 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-(2-oxoazetidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-(2-oxoazetidin-3-yl)acetamide
PubChem CID13212056
Molecular FormulaC10H11ClN4O3S
Molecular Weight302.74 g/mol
Exact Mass302.02
IUPAC Name2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-(2-oxoazetidin-3-yl)acetamide
SMILESO=C(CCl)Nc1nc(CC(=O)NC2CNC2=O)cs1
InChIInChI=1S/C10H11ClN4O3S/c11-2-8(17)15-10-13-5(4-19-10)1-7(16)14-6-3-12-9(6)18/h4,6H,1-3H2,(H,12,18)(H,14,16)(H,13,15,17)
InChIKeyZACUAUXGVKJSOR-UHFFFAOYSA-N
XLogP-0.52
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide
CID 54546949
4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide
CID 3463096
N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
CID 10398016
N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228156
2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-(1-formyl-3,10-dioxo-11-oxa-6-thia-2-azatricyclo[6.3.0.02,5]undecan-4-yl)acetamide
CID 145179285
3,4-dichloro-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 5206289
N-(2,5-dioxopyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463244
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide
CID 103164434
2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoacetic acid
CID 13323080
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide
CID 73338901
N-[4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 18568227
2,2-dimethyl-N-[4-[2-oxo-2-(piperidin-3-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119426693

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-(2-oxoazetidin-3-yl)acetamide?
The IUPAC name of 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-(2-oxoazetidin-3-yl)acetamide (CID 13212056) is 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-(2-oxoazetidin-3-yl)acetamide.
What is the SMILES notation for 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-(2-oxoazetidin-3-yl)acetamide?
The canonical SMILES for 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-(2-oxoazetidin-3-yl)acetamide is O=C(CCl)Nc1nc(CC(=O)NC2CNC2=O)cs1.
What is the InChIKey of 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-(2-oxoazetidin-3-yl)acetamide?
The InChIKey is ZACUAUXGVKJSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O3S/c11-2-8(17)15-10-13-5(4-19-10)1-7(16)14-6-3-12-9(6)18/h4,6H,1-3H2,(H,12,18)(H,14,16)(H,13,15,17).
What are the key properties of 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-(2-oxoazetidin-3-yl)acetamide?
2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-(2-oxoazetidin-3-yl)acetamide has a molecular weight of 302.74 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-(2-oxoazetidin-3-yl)acetamide is sourced from PubChem (CID 13212056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).