(NZ)-N-[1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propylidene]hydroxylamine

C15H15N3O2S — CID 115332012

IUPAC(NZ)-N-[1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propylidene]hydroxylamine
SMILESCC/C(=N/O)c1ccc(OCc2cn3ccsc3n2)cc1
InChIInChI=1S/C15H15N3O2S/c1-2-14(17-19)11-3-5-13(6-4-11)20-10-12-9-18-7-8-21-15(18)16-12/h3-9,19H,2,10H2,1H3/b17-14-
InChIKeyNEVKRYRRXVIUIP-VKAVYKQESA-N
MW301.37 g/mol
LogP3.56
Rot. Bonds5

About (NZ)-N-[1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propylidene]hydroxylamine

(NZ)-N-[1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propylidene]hydroxylamine (PubChem CID 115332012) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is (NZ)-N-[1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propylidene]hydroxylamine
PubChem CID115332012
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name(NZ)-N-[1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propylidene]hydroxylamine
SMILESCC/C(=N/O)c1ccc(OCc2cn3ccsc3n2)cc1
InChIInChI=1S/C15H15N3O2S/c1-2-14(17-19)11-3-5-13(6-4-11)20-10-12-9-18-7-8-21-15(18)16-12/h3-9,19H,2,10H2,1H3/b17-14-
InChIKeyNEVKRYRRXVIUIP-VKAVYKQESA-N
XLogP3.56
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
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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Related Compounds

N'-hydroxy-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide
CID 115331979
1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanol
CID 115332160
N'-hydroxy-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide
CID 115331977
2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 107076961
6-[(3-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334810
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 3658662
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-one
CID 78942904
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxyphenyl]methanol
CID 115332156
N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
CID 115331304
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxybenzenecarbothioamide
CID 103567303
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-4-methoxyphenyl]ethanone
CID 82002993
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenoxy)acetamide
CID 134027741

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propylidene]hydroxylamine (CID 115332012) is (NZ)-N-[1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propylidene]hydroxylamine is CC/C(=N/O)c1ccc(OCc2cn3ccsc3n2)cc1.
What is the InChIKey of (NZ)-N-[1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propylidene]hydroxylamine?
The InChIKey is NEVKRYRRXVIUIP-VKAVYKQESA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-2-14(17-19)11-3-5-13(6-4-11)20-10-12-9-18-7-8-21-15(18)16-12/h3-9,19H,2,10H2,1H3/b17-14-.
What are the key properties of (NZ)-N-[1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propylidene]hydroxylamine?
(NZ)-N-[1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propylidene]hydroxylamine has a molecular weight of 301.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propylidene]hydroxylamine is sourced from PubChem (CID 115332012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).