3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enoyl azide

C10H8N6OS — CID 154051409

IUPAC3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enoyl azide
SMILESCn1cc(-c2nc(C=CC(=O)N=[N+]=[N-])cs2)cn1
InChIInChI=1S/C10H8N6OS/c1-16-5-7(4-12-16)10-13-8(6-18-10)2-3-9(17)14-15-11/h2-6H,1H3
InChIKeyMBQSCMXCNNBWJU-UHFFFAOYSA-N
MW260.28 g/mol
LogP2.39
Rot. Bonds3

About 3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enoyl azide

3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enoyl azide (PubChem CID 154051409) has the molecular formula C10H8N6OS and a molecular weight of 260.28 g/mol. Its IUPAC name is 3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enoyl azide.

Molecular Properties

Compound Name3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enoyl azide
PubChem CID154051409
Molecular FormulaC10H8N6OS
Molecular Weight260.28 g/mol
Exact Mass260.05
IUPAC Name3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enoyl azide
SMILESCn1cc(-c2nc(C=CC(=O)N=[N+]=[N-])cs2)cn1
InChIInChI=1S/C10H8N6OS/c1-16-5-7(4-12-16)10-13-8(6-18-10)2-3-9(17)14-15-11/h2-6H,1H3
InChIKeyMBQSCMXCNNBWJU-UHFFFAOYSA-N
XLogP2.39
TPSA96.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enoyl azide?
The IUPAC name of 3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enoyl azide (CID 154051409) is 3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enoyl azide.
What is the SMILES notation for 3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enoyl azide?
The canonical SMILES for 3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enoyl azide is Cn1cc(-c2nc(C=CC(=O)N=[N+]=[N-])cs2)cn1.
What is the InChIKey of 3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enoyl azide?
The InChIKey is MBQSCMXCNNBWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6OS/c1-16-5-7(4-12-16)10-13-8(6-18-10)2-3-9(17)14-15-11/h2-6H,1H3.
What are the key properties of 3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enoyl azide?
3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enoyl azide has a molecular weight of 260.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enoyl azide is sourced from PubChem (CID 154051409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).