2-(azidomethyl)-1,3-thiazole-4-carboxamide

C5H5N5OS — CID 122164053

IUPAC2-(azidomethyl)-1,3-thiazole-4-carboxamide
SMILES[N-]=[N+]=NCc1nc(C(N)=O)cs1
InChIInChI=1S/C5H5N5OS/c6-5(11)3-2-12-4(9-3)1-8-10-7/h2H,1H2,(H2,6,11)
InChIKeyIWQHURSSBGPCDM-UHFFFAOYSA-N
MW183.20 g/mol
LogP1.05
Rot. Bonds3

About 2-(azidomethyl)-1,3-thiazole-4-carboxamide

2-(azidomethyl)-1,3-thiazole-4-carboxamide (PubChem CID 122164053) has the molecular formula C5H5N5OS and a molecular weight of 183.20 g/mol. Its IUPAC name is 2-(azidomethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(azidomethyl)-1,3-thiazole-4-carboxamide
PubChem CID122164053
Molecular FormulaC5H5N5OS
Molecular Weight183.20 g/mol
Exact Mass183.02
IUPAC Name2-(azidomethyl)-1,3-thiazole-4-carboxamide
SMILES[N-]=[N+]=NCc1nc(C(N)=O)cs1
InChIInChI=1S/C5H5N5OS/c6-5(11)3-2-12-4(9-3)1-8-10-7/h2H,1H2,(H2,6,11)
InChIKeyIWQHURSSBGPCDM-UHFFFAOYSA-N
XLogP1.05
TPSA104.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1,3-Thiazole-4-carboxamide
CID 445276
2-ethynyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 168295957
2-Methyl-1,3-thiazole-4-carbohydrazide
CID 2744058
2-Methyl-1,3-thiazole-4-carboxylic acid amide
CID 7019409
2-(Aminomethyl)-1,3-thiazole-4-carboxamide
CID 18003418
2-Bromo-1,3-thiazole-4-carboxamide
CID 45789632
2-(1-Aminoethyl)thiazole-4-carbohydrazide
CID 485038
2-(1-Aminoethyl)-1,3-thiazole-4-carboxamide
CID 485048
2-(2-Aminoethyl)-1,3-thiazole-4-carboxamide
CID 3890422
2-Formyl-1,3-thiazole-4-carboxamide
CID 11622373
Thiazole-diamide
CID 21616754
2-Fluoro-1,3-thiazole-4-carboxamide
CID 58001584

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(azidomethyl)-1,3-thiazole-4-carboxamide (CID 122164053) is 2-(azidomethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(azidomethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(azidomethyl)-1,3-thiazole-4-carboxamide is [N-]=[N+]=NCc1nc(C(N)=O)cs1.
What is the InChIKey of 2-(azidomethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IWQHURSSBGPCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5OS/c6-5(11)3-2-12-4(9-3)1-8-10-7/h2H,1H2,(H2,6,11).
What are the key properties of 2-(azidomethyl)-1,3-thiazole-4-carboxamide?
2-(azidomethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 183.20 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122164053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).