4-(2-azido-5-methylphenyl)-1,3-thiazol-2-amine

C10H9N5S — CID 162493646

IUPAC4-(2-azido-5-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(N=[N+]=[N-])c(-c2csc(N)n2)c1
InChIInChI=1S/C10H9N5S/c1-6-2-3-8(14-15-12)7(4-6)9-5-16-10(11)13-9/h2-5H,1H3,(H2,11,13)
InChIKeyZIADBENRXSSQND-UHFFFAOYSA-N
MW231.28 g/mol
LogP3.64
Rot. Bonds2

About 4-(2-azido-5-methylphenyl)-1,3-thiazol-2-amine

4-(2-azido-5-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 162493646) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is 4-(2-azido-5-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-azido-5-methylphenyl)-1,3-thiazol-2-amine
PubChem CID162493646
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name4-(2-azido-5-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(N=[N+]=[N-])c(-c2csc(N)n2)c1
InChIInChI=1S/C10H9N5S/c1-6-2-3-8(14-15-12)7(4-6)9-5-16-10(11)13-9/h2-5H,1H3,(H2,11,13)
InChIKeyZIADBENRXSSQND-UHFFFAOYSA-N
XLogP3.64
TPSA87.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 53.64
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-azido-5-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-azido-5-methylphenyl)-1,3-thiazol-2-amine (CID 162493646) is 4-(2-azido-5-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-azido-5-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-azido-5-methylphenyl)-1,3-thiazol-2-amine is Cc1ccc(N=[N+]=[N-])c(-c2csc(N)n2)c1.
What is the InChIKey of 4-(2-azido-5-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is ZIADBENRXSSQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c1-6-2-3-8(14-15-12)7(4-6)9-5-16-10(11)13-9/h2-5H,1H3,(H2,11,13).
What are the key properties of 4-(2-azido-5-methylphenyl)-1,3-thiazol-2-amine?
4-(2-azido-5-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 231.28 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azido-5-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 162493646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).