N-[[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethylidene]hydroxylamine

C18H19N3O2S — CID 152779443

IUPACN-[[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethylidene]hydroxylamine
SMILESCC(C)CNc1nc(-c2ccco2)c(C(=NO)c2ccccc2)s1
InChIInChI=1S/C18H19N3O2S/c1-12(2)11-19-18-20-16(14-9-6-10-23-14)17(24-18)15(21-22)13-7-4-3-5-8-13/h3-10,12,22H,11H2,1-2H3,(H,19,20)
InChIKeyAJGKXKRJIWQKBG-UHFFFAOYSA-N
MW341.44 g/mol
LogP4.70
Rot. Bonds6

About N-[[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethylidene]hydroxylamine

N-[[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethylidene]hydroxylamine (PubChem CID 152779443) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethylidene]hydroxylamine
PubChem CID152779443
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethylidene]hydroxylamine
SMILESCC(C)CNc1nc(-c2ccco2)c(C(=NO)c2ccccc2)s1
InChIInChI=1S/C18H19N3O2S/c1-12(2)11-19-18-20-16(14-9-6-10-23-14)17(24-18)15(21-22)13-7-4-3-5-8-13/h3-10,12,22H,11H2,1-2H3,(H,19,20)
InChIKeyAJGKXKRJIWQKBG-UHFFFAOYSA-N
XLogP4.70
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethylidene]hydroxylamine?
The IUPAC name of N-[[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethylidene]hydroxylamine (CID 152779443) is N-[[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethylidene]hydroxylamine.
What is the SMILES notation for N-[[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethylidene]hydroxylamine?
The canonical SMILES for N-[[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethylidene]hydroxylamine is CC(C)CNc1nc(-c2ccco2)c(C(=NO)c2ccccc2)s1.
What is the InChIKey of N-[[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethylidene]hydroxylamine?
The InChIKey is AJGKXKRJIWQKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12(2)11-19-18-20-16(14-9-6-10-23-14)17(24-18)15(21-22)13-7-4-3-5-8-13/h3-10,12,22H,11H2,1-2H3,(H,19,20).
What are the key properties of N-[[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethylidene]hydroxylamine?
N-[[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethylidene]hydroxylamine has a molecular weight of 341.44 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 152779443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).