4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine

C15H13N3OS2 — CID 6105831

IUPAC4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C\c3cccs3)n2)cc1
InChIInChI=1S/C15H13N3OS2/c1-19-12-6-4-11(5-7-12)14-10-21-15(17-14)18-16-9-13-3-2-8-20-13/h2-10H,1H3,(H,17,18)/b16-9-
InChIKeyKKJAYSIKWWDGFJ-SXGWCWSVSA-N
MW315.42 g/mol
LogP4.33
Rot. Bonds5

About 4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine

4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine (PubChem CID 6105831) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
PubChem CID6105831
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC Name4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C\c3cccs3)n2)cc1
InChIInChI=1S/C15H13N3OS2/c1-19-12-6-4-11(5-7-12)14-10-21-15(17-14)18-16-9-13-3-2-8-20-13/h2-10H,1H3,(H,17,18)/b16-9-
InChIKeyKKJAYSIKWWDGFJ-SXGWCWSVSA-N
XLogP4.33
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.33
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine (CID 6105831) is 4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine is COc1ccc(-c2csc(N/N=C\c3cccs3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is KKJAYSIKWWDGFJ-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H13N3OS2/c1-19-12-6-4-11(5-7-12)14-10-21-15(17-14)18-16-9-13-3-2-8-20-13/h2-10H,1H3,(H,17,18)/b16-9-.
What are the key properties of 4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 315.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 6105831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).