2-[(2-chloroacetyl)amino]-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide

C12H12ClN3O3S — CID 11645327

IUPAC2-[(2-chloroacetyl)amino]-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCl)NC(Cc1ccco1)C(=O)Nc1nccs1
InChIInChI=1S/C12H12ClN3O3S/c13-7-10(17)15-9(6-8-2-1-4-19-8)11(18)16-12-14-3-5-20-12/h1-5,9H,6-7H2,(H,15,17)(H,14,16,18)
InChIKeyWUDHHZVZBFSTJW-UHFFFAOYSA-N
MW313.77 g/mol
LogP1.64
Rot. Bonds6

About 2-[(2-chloroacetyl)amino]-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide

2-[(2-chloroacetyl)amino]-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 11645327) has the molecular formula C12H12ClN3O3S and a molecular weight of 313.77 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)amino]-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)amino]-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID11645327
Molecular FormulaC12H12ClN3O3S
Molecular Weight313.77 g/mol
Exact Mass313.03
IUPAC Name2-[(2-chloroacetyl)amino]-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCl)NC(Cc1ccco1)C(=O)Nc1nccs1
InChIInChI=1S/C12H12ClN3O3S/c13-7-10(17)15-9(6-8-2-1-4-19-8)11(18)16-12-14-3-5-20-12/h1-5,9H,6-7H2,(H,15,17)(H,14,16,18)
InChIKeyWUDHHZVZBFSTJW-UHFFFAOYSA-N
XLogP1.64
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)amino]-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[(2-chloroacetyl)amino]-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 11645327) is 2-[(2-chloroacetyl)amino]-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[(2-chloroacetyl)amino]-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[(2-chloroacetyl)amino]-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide is O=C(CCl)NC(Cc1ccco1)C(=O)Nc1nccs1.
What is the InChIKey of 2-[(2-chloroacetyl)amino]-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is WUDHHZVZBFSTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S/c13-7-10(17)15-9(6-8-2-1-4-19-8)11(18)16-12-14-3-5-20-12/h1-5,9H,6-7H2,(H,15,17)(H,14,16,18).
What are the key properties of 2-[(2-chloroacetyl)amino]-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
2-[(2-chloroacetyl)amino]-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 313.77 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)amino]-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 11645327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).