[1-[2-[4-(cyclohexylmethyl)-1,3-thiazole-2-carbonyl]hydrazinyl]-2-methyl-1-oxopropan-2-yl] acetate

C17H25N3O4S — CID 121302150

IUPAC[1-[2-[4-(cyclohexylmethyl)-1,3-thiazole-2-carbonyl]hydrazinyl]-2-methyl-1-oxopropan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C(=O)NNC(=O)c1nc(CC2CCCCC2)cs1
InChIInChI=1S/C17H25N3O4S/c1-11(21)24-17(2,3)16(23)20-19-14(22)15-18-13(10-25-15)9-12-7-5-4-6-8-12/h10,12H,4-9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyGYNRXQRMDWMRAM-UHFFFAOYSA-N
MW367.47 g/mol
LogP2.37
Rot. Bonds5

About [1-[2-[4-(cyclohexylmethyl)-1,3-thiazole-2-carbonyl]hydrazinyl]-2-methyl-1-oxopropan-2-yl] acetate

[1-[2-[4-(cyclohexylmethyl)-1,3-thiazole-2-carbonyl]hydrazinyl]-2-methyl-1-oxopropan-2-yl] acetate (PubChem CID 121302150) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is [1-[2-[4-(cyclohexylmethyl)-1,3-thiazole-2-carbonyl]hydrazinyl]-2-methyl-1-oxopropan-2-yl] acetate.

Molecular Properties

Compound Name[1-[2-[4-(cyclohexylmethyl)-1,3-thiazole-2-carbonyl]hydrazinyl]-2-methyl-1-oxopropan-2-yl] acetate
PubChem CID121302150
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name[1-[2-[4-(cyclohexylmethyl)-1,3-thiazole-2-carbonyl]hydrazinyl]-2-methyl-1-oxopropan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C(=O)NNC(=O)c1nc(CC2CCCCC2)cs1
InChIInChI=1S/C17H25N3O4S/c1-11(21)24-17(2,3)16(23)20-19-14(22)15-18-13(10-25-15)9-12-7-5-4-6-8-12/h10,12H,4-9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyGYNRXQRMDWMRAM-UHFFFAOYSA-N
XLogP2.37
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[4-(cyclohexylmethyl)-1,3-thiazole-2-carbonyl]hydrazinyl]-2-methyl-1-oxopropan-2-yl] acetate?
The IUPAC name of [1-[2-[4-(cyclohexylmethyl)-1,3-thiazole-2-carbonyl]hydrazinyl]-2-methyl-1-oxopropan-2-yl] acetate (CID 121302150) is [1-[2-[4-(cyclohexylmethyl)-1,3-thiazole-2-carbonyl]hydrazinyl]-2-methyl-1-oxopropan-2-yl] acetate.
What is the SMILES notation for [1-[2-[4-(cyclohexylmethyl)-1,3-thiazole-2-carbonyl]hydrazinyl]-2-methyl-1-oxopropan-2-yl] acetate?
The canonical SMILES for [1-[2-[4-(cyclohexylmethyl)-1,3-thiazole-2-carbonyl]hydrazinyl]-2-methyl-1-oxopropan-2-yl] acetate is CC(=O)OC(C)(C)C(=O)NNC(=O)c1nc(CC2CCCCC2)cs1.
What is the InChIKey of [1-[2-[4-(cyclohexylmethyl)-1,3-thiazole-2-carbonyl]hydrazinyl]-2-methyl-1-oxopropan-2-yl] acetate?
The InChIKey is GYNRXQRMDWMRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-11(21)24-17(2,3)16(23)20-19-14(22)15-18-13(10-25-15)9-12-7-5-4-6-8-12/h10,12H,4-9H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of [1-[2-[4-(cyclohexylmethyl)-1,3-thiazole-2-carbonyl]hydrazinyl]-2-methyl-1-oxopropan-2-yl] acetate?
[1-[2-[4-(cyclohexylmethyl)-1,3-thiazole-2-carbonyl]hydrazinyl]-2-methyl-1-oxopropan-2-yl] acetate has a molecular weight of 367.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[4-(cyclohexylmethyl)-1,3-thiazole-2-carbonyl]hydrazinyl]-2-methyl-1-oxopropan-2-yl] acetate is sourced from PubChem (CID 121302150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).