N-[(E)-1-phenoxypropan-2-ylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine

C16H15N3OS2 — CID 71460990

IUPACN-[(E)-1-phenoxypropan-2-ylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESC/C(COc1ccccc1)=N\Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C16H15N3OS2/c1-12(10-20-13-6-3-2-4-7-13)18-19-16-17-14(11-22-16)15-8-5-9-21-15/h2-9,11H,10H2,1H3,(H,17,19)/b18-12+
InChIKeyTYQBAYRUJLAIBM-LDADJPATSA-N
MW329.45 g/mol
LogP4.74
Rot. Bonds6

About N-[(E)-1-phenoxypropan-2-ylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine

N-[(E)-1-phenoxypropan-2-ylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine (PubChem CID 71460990) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[(E)-1-phenoxypropan-2-ylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-1-phenoxypropan-2-ylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
PubChem CID71460990
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC NameN-[(E)-1-phenoxypropan-2-ylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESC/C(COc1ccccc1)=N\Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C16H15N3OS2/c1-12(10-20-13-6-3-2-4-7-13)18-19-16-17-14(11-22-16)15-8-5-9-21-15/h2-9,11H,10H2,1H3,(H,17,19)/b18-12+
InChIKeyTYQBAYRUJLAIBM-LDADJPATSA-N
XLogP4.74
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(E)-1-phenoxypropan-2-ylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methylsulfanyl-4-(4-phenoxymethyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 18537342
(4-Methoxy-phenyl)-(4-thiophen-2-yl-thiazol-2-yl)-amine
CID 793672
2-phenoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2997799
4-(3-methoxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 49863679
4-(3-methoxyphenyl)-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
CID 49863680
4-(4-methoxyphenyl)-N-[(Z)-2-thienylmethyleneamino]thiazol-2-amine
CID 6105831
4-(4-methoxyphenyl)-N-[(Z)-1-(2-thienyl)ethylideneamino]thiazol-2-amine
CID 51032800
4-(4-tert-butylphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine
CID 71452027
4-(4-fluorophenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine
CID 71455560
4-(4-methylphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine
CID 71459214
N-[(E)-1-phenoxypropan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 71460993
4-(4-methoxyphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine
CID 71462721

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-phenoxypropan-2-ylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-1-phenoxypropan-2-ylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine (CID 71460990) is N-[(E)-1-phenoxypropan-2-ylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-1-phenoxypropan-2-ylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-1-phenoxypropan-2-ylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine is C/C(COc1ccccc1)=N\Nc1nc(-c2cccs2)cs1.
What is the InChIKey of N-[(E)-1-phenoxypropan-2-ylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine?
The InChIKey is TYQBAYRUJLAIBM-LDADJPATSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-12(10-20-13-6-3-2-4-7-13)18-19-16-17-14(11-22-16)15-8-5-9-21-15/h2-9,11H,10H2,1H3,(H,17,19)/b18-12+.
What are the key properties of N-[(E)-1-phenoxypropan-2-ylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine?
N-[(E)-1-phenoxypropan-2-ylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine has a molecular weight of 329.45 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-phenoxypropan-2-ylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 71460990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).