4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide

C11H14N4O2S2 — CID 55214476

IUPAC4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
SMILESCc1nc(N)sc1SCc1cc(C(=O)NN)oc1C
InChIInChI=1S/C11H14N4O2S2/c1-5-10(19-11(12)14-5)18-4-7-3-8(9(16)15-13)17-6(7)2/h3H,4,13H2,1-2H3,(H2,12,14)(H,15,16)
InChIKeyGKEXCHAKIYASNQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.83
Rot. Bonds4

About 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide

4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide (PubChem CID 55214476) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
PubChem CID55214476
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
SMILESCc1nc(N)sc1SCc1cc(C(=O)NN)oc1C
InChIInChI=1S/C11H14N4O2S2/c1-5-10(19-11(12)14-5)18-4-7-3-8(9(16)15-13)17-6(7)2/h3H,4,13H2,1-2H3,(H2,12,14)(H,15,16)
InChIKeyGKEXCHAKIYASNQ-UHFFFAOYSA-N
XLogP1.83
TPSA107.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

5-methyl-4-[(5-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 63590649
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]benzohydrazide
CID 63582368
2-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]phenyl]acetohydrazide
CID 115465721
5-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid
CID 43250452
4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
CID 63580891
4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
CID 63576410
4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
CID 63582745
4-[(2,4-difluorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
CID 63582698
4-[(2,5-dichlorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
CID 63580050
4-(3-hydroxypropylsulfanylmethyl)-5-methylfuran-2-carbohydrazide
CID 66126413
5-methyl-4-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 63581065
2-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]phenyl]propanoic acid
CID 105345148

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide (CID 55214476) is 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide is Cc1nc(N)sc1SCc1cc(C(=O)NN)oc1C.
What is the InChIKey of 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide?
The InChIKey is GKEXCHAKIYASNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c1-5-10(19-11(12)14-5)18-4-7-3-8(9(16)15-13)17-6(7)2/h3H,4,13H2,1-2H3,(H2,12,14)(H,15,16).
What are the key properties of 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide?
4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide has a molecular weight of 298.39 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 55214476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).