[4-(azidomethyl)-1,3-thiazol-2-yl]carbamic acid

C5H5N5O2S — CID 90457555

IUPAC[4-(azidomethyl)-1,3-thiazol-2-yl]carbamic acid
SMILES[N-]=[N+]=NCc1csc(NC(=O)O)n1
InChIInChI=1S/C5H5N5O2S/c6-10-7-1-3-2-13-4(8-3)9-5(11)12/h2H,1H2,(H,8,9)(H,11,12)
InChIKeyGDEFEAVHURMLKN-UHFFFAOYSA-N
MW199.19 g/mol
LogP2.04
Rot. Bonds3

About [4-(azidomethyl)-1,3-thiazol-2-yl]carbamic acid

[4-(azidomethyl)-1,3-thiazol-2-yl]carbamic acid (PubChem CID 90457555) has the molecular formula C5H5N5O2S and a molecular weight of 199.19 g/mol. Its IUPAC name is [4-(azidomethyl)-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-(azidomethyl)-1,3-thiazol-2-yl]carbamic acid
PubChem CID90457555
Molecular FormulaC5H5N5O2S
Molecular Weight199.19 g/mol
Exact Mass199.02
IUPAC Name[4-(azidomethyl)-1,3-thiazol-2-yl]carbamic acid
SMILES[N-]=[N+]=NCc1csc(NC(=O)O)n1
InChIInChI=1S/C5H5N5O2S/c6-10-7-1-3-2-13-4(8-3)9-5(11)12/h2H,1H2,(H,8,9)(H,11,12)
InChIKeyGDEFEAVHURMLKN-UHFFFAOYSA-N
XLogP2.04
TPSA110.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 52.04
H-Bond Donors ≤ 52
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

[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87112196
[4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87285914
N-(4-ethyl-1,3-thiazol-2-yl)butanamide
CID 87065374
N-(4-ethyl-1,3-thiazol-2-yl)hexa-2,4-dienamide
CID 72687719
2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid
CID 62960794
4-(2-acetamido-1,3-thiazol-4-yl)butanoic acid
CID 80656385
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 47263059
N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
CID 10398016
methyl 3-[6-(azidomethyl)-2-pyridinyl]propanoate
CID 135277822
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
[4-[2-[4-amino-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]ethyl]-1,3-thiazol-2-yl]carbamic acid
CID 150807260
2,2,2-trichloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 108745925

Frequently Asked Questions

What is the IUPAC name of [4-(azidomethyl)-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [4-(azidomethyl)-1,3-thiazol-2-yl]carbamic acid (CID 90457555) is [4-(azidomethyl)-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [4-(azidomethyl)-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [4-(azidomethyl)-1,3-thiazol-2-yl]carbamic acid is [N-]=[N+]=NCc1csc(NC(=O)O)n1.
What is the InChIKey of [4-(azidomethyl)-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is GDEFEAVHURMLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O2S/c6-10-7-1-3-2-13-4(8-3)9-5(11)12/h2H,1H2,(H,8,9)(H,11,12).
What are the key properties of [4-(azidomethyl)-1,3-thiazol-2-yl]carbamic acid?
[4-(azidomethyl)-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 199.19 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azidomethyl)-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 90457555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).