4-tert-butyl-2-(furan-2-yl)-1,3-thiazole-5-carbohydrazide

C12H15N3O2S — CID 82439300

IUPAC4-tert-butyl-2-(furan-2-yl)-1,3-thiazole-5-carbohydrazide
SMILESCC(C)(C)c1nc(-c2ccco2)sc1C(=O)NN
InChIInChI=1S/C12H15N3O2S/c1-12(2,3)9-8(10(16)15-13)18-11(14-9)7-5-4-6-17-7/h4-6H,13H2,1-3H3,(H,15,16)
InChIKeyQISFFWMOTJKSDP-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.30
Rot. Bonds2

About 4-tert-butyl-2-(furan-2-yl)-1,3-thiazole-5-carbohydrazide

4-tert-butyl-2-(furan-2-yl)-1,3-thiazole-5-carbohydrazide (PubChem CID 82439300) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-tert-butyl-2-(furan-2-yl)-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-tert-butyl-2-(furan-2-yl)-1,3-thiazole-5-carbohydrazide
PubChem CID82439300
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name4-tert-butyl-2-(furan-2-yl)-1,3-thiazole-5-carbohydrazide
SMILESCC(C)(C)c1nc(-c2ccco2)sc1C(=O)NN
InChIInChI=1S/C12H15N3O2S/c1-12(2,3)9-8(10(16)15-13)18-11(14-9)7-5-4-6-17-7/h4-6H,13H2,1-3H3,(H,15,16)
InChIKeyQISFFWMOTJKSDP-UHFFFAOYSA-N
XLogP2.30
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide
CID 43244788
[4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanamine
CID 82439289
[4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanol
CID 82439271
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
2-(furan-2-yl)-N-(2-methoxyethoxy)-5-methyl-1,3-thiazole-4-carboxamide
CID 79676397
2-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid
CID 119187621
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-1-one
CID 170582471
N-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 119997754
N-[[4-ethyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 113459709
2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 36766447
2-(2-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114358835
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbutanamide
CID 121123522

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(furan-2-yl)-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-tert-butyl-2-(furan-2-yl)-1,3-thiazole-5-carbohydrazide (CID 82439300) is 4-tert-butyl-2-(furan-2-yl)-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-tert-butyl-2-(furan-2-yl)-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-tert-butyl-2-(furan-2-yl)-1,3-thiazole-5-carbohydrazide is CC(C)(C)c1nc(-c2ccco2)sc1C(=O)NN.
What is the InChIKey of 4-tert-butyl-2-(furan-2-yl)-1,3-thiazole-5-carbohydrazide?
The InChIKey is QISFFWMOTJKSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-12(2,3)9-8(10(16)15-13)18-11(14-9)7-5-4-6-17-7/h4-6H,13H2,1-3H3,(H,15,16).
What are the key properties of 4-tert-butyl-2-(furan-2-yl)-1,3-thiazole-5-carbohydrazide?
4-tert-butyl-2-(furan-2-yl)-1,3-thiazole-5-carbohydrazide has a molecular weight of 265.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(furan-2-yl)-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82439300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).