2-(cyclopropylamino)-N-methoxy-1,3-thiazole-5-carboxamide

C8H11N3O2S — CID 130637977

IUPAC2-(cyclopropylamino)-N-methoxy-1,3-thiazole-5-carboxamide
SMILESCONC(=O)c1cnc(NC2CC2)s1
InChIInChI=1S/C8H11N3O2S/c1-13-11-7(12)6-4-9-8(14-6)10-5-2-3-5/h4-5H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyLHXXJRWACROYOI-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.01
Rot. Bonds4

About 2-(cyclopropylamino)-N-methoxy-1,3-thiazole-5-carboxamide

2-(cyclopropylamino)-N-methoxy-1,3-thiazole-5-carboxamide (PubChem CID 130637977) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-methoxy-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-methoxy-1,3-thiazole-5-carboxamide
PubChem CID130637977
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name2-(cyclopropylamino)-N-methoxy-1,3-thiazole-5-carboxamide
SMILESCONC(=O)c1cnc(NC2CC2)s1
InChIInChI=1S/C8H11N3O2S/c1-13-11-7(12)6-4-9-8(14-6)10-5-2-3-5/h4-5H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyLHXXJRWACROYOI-UHFFFAOYSA-N
XLogP1.01
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-methoxy-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-methoxy-1,3-thiazole-5-carboxamide (CID 130637977) is 2-(cyclopropylamino)-N-methoxy-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-methoxy-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-methoxy-1,3-thiazole-5-carboxamide is CONC(=O)c1cnc(NC2CC2)s1.
What is the InChIKey of 2-(cyclopropylamino)-N-methoxy-1,3-thiazole-5-carboxamide?
The InChIKey is LHXXJRWACROYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-13-11-7(12)6-4-9-8(14-6)10-5-2-3-5/h4-5H,2-3H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-(cyclopropylamino)-N-methoxy-1,3-thiazole-5-carboxamide?
2-(cyclopropylamino)-N-methoxy-1,3-thiazole-5-carboxamide has a molecular weight of 213.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-methoxy-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 130637977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).