3-prop-2-enyl-1,2-thiazole;4-(1H-pyrazol-5-yl)benzamide

C16H16N4OS — CID 174960027

IUPAC3-prop-2-enyl-1,2-thiazole;4-(1H-pyrazol-5-yl)benzamide
SMILESC=CCc1ccsn1.NC(=O)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C10H9N3O.C6H7NS/c11-10(14)8-3-1-7(2-4-8)9-5-6-12-13-9;1-2-3-6-4-5-8-7-6/h1-6H,(H2,11,14)(H,12,13);2,4-5H,1,3H2
InChIKeyYCCFBXURMVQFTN-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.05
Rot. Bonds4

About 3-prop-2-enyl-1,2-thiazole;4-(1H-pyrazol-5-yl)benzamide

3-prop-2-enyl-1,2-thiazole;4-(1H-pyrazol-5-yl)benzamide (PubChem CID 174960027) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 3-prop-2-enyl-1,2-thiazole;4-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-prop-2-enyl-1,2-thiazole;4-(1H-pyrazol-5-yl)benzamide
PubChem CID174960027
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name3-prop-2-enyl-1,2-thiazole;4-(1H-pyrazol-5-yl)benzamide
SMILESC=CCc1ccsn1.NC(=O)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C10H9N3O.C6H7NS/c11-10(14)8-3-1-7(2-4-8)9-5-6-12-13-9;1-2-3-6-4-5-8-7-6/h1-6H,(H2,11,14)(H,12,13);2,4-5H,1,3H2
InChIKeyYCCFBXURMVQFTN-UHFFFAOYSA-N
XLogP3.05
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-1,2-thiazole;4-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 3-prop-2-enyl-1,2-thiazole;4-(1H-pyrazol-5-yl)benzamide (CID 174960027) is 3-prop-2-enyl-1,2-thiazole;4-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 3-prop-2-enyl-1,2-thiazole;4-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 3-prop-2-enyl-1,2-thiazole;4-(1H-pyrazol-5-yl)benzamide is C=CCc1ccsn1.NC(=O)c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 3-prop-2-enyl-1,2-thiazole;4-(1H-pyrazol-5-yl)benzamide?
The InChIKey is YCCFBXURMVQFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O.C6H7NS/c11-10(14)8-3-1-7(2-4-8)9-5-6-12-13-9;1-2-3-6-4-5-8-7-6/h1-6H,(H2,11,14)(H,12,13);2,4-5H,1,3H2.
What are the key properties of 3-prop-2-enyl-1,2-thiazole;4-(1H-pyrazol-5-yl)benzamide?
3-prop-2-enyl-1,2-thiazole;4-(1H-pyrazol-5-yl)benzamide has a molecular weight of 312.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-1,2-thiazole;4-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 174960027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).