2-[(2,2-dichlorocyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxamide

C8H7Cl2N3O2S — CID 78828059

IUPAC2-[(2,2-dichlorocyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)C2CC2(Cl)Cl)s1
InChIInChI=1S/C8H7Cl2N3O2S/c9-8(10)1-3(8)6(15)13-7-12-2-4(16-7)5(11)14/h2-3H,1H2,(H2,11,14)(H,12,13,15)
InChIKeyGXWOCHYILYUYBC-UHFFFAOYSA-N
MW280.14 g/mol
LogP1.37
Rot. Bonds3

About 2-[(2,2-dichlorocyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxamide

2-[(2,2-dichlorocyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 78828059) has the molecular formula C8H7Cl2N3O2S and a molecular weight of 280.14 g/mol. Its IUPAC name is 2-[(2,2-dichlorocyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2,2-dichlorocyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID78828059
Molecular FormulaC8H7Cl2N3O2S
Molecular Weight280.14 g/mol
Exact Mass278.96
IUPAC Name2-[(2,2-dichlorocyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)C2CC2(Cl)Cl)s1
InChIInChI=1S/C8H7Cl2N3O2S/c9-8(10)1-3(8)6(15)13-7-12-2-4(16-7)5(11)14/h2-3H,1H2,(H2,11,14)(H,12,13,15)
InChIKeyGXWOCHYILYUYBC-UHFFFAOYSA-N
XLogP1.37
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.14
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2,2-dichlorocyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2,2-dichlorocyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxamide (CID 78828059) is 2-[(2,2-dichlorocyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2,2-dichlorocyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2,2-dichlorocyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(NC(=O)C2CC2(Cl)Cl)s1.
What is the InChIKey of 2-[(2,2-dichlorocyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is GXWOCHYILYUYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N3O2S/c9-8(10)1-3(8)6(15)13-7-12-2-4(16-7)5(11)14/h2-3H,1H2,(H2,11,14)(H,12,13,15).
What are the key properties of 2-[(2,2-dichlorocyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxamide?
2-[(2,2-dichlorocyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 280.14 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dichlorocyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78828059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).