2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,3-thiazole-4-carboxamide

C15H12N4OS2 — CID 154489738

IUPAC2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2ccc(/N=C(\N)c3cccs3)cc2)n1
InChIInChI=1S/C15H12N4OS2/c16-13(12-2-1-7-21-12)18-10-5-3-9(4-6-10)15-19-11(8-22-15)14(17)20/h1-8H,(H2,16,18)(H2,17,20)
InChIKeyOPEBDFRSRKTJAE-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.01
Rot. Bonds4

About 2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,3-thiazole-4-carboxamide

2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 154489738) has the molecular formula C15H12N4OS2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID154489738
Molecular FormulaC15H12N4OS2
Molecular Weight328.42 g/mol
Exact Mass328.05
IUPAC Name2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2ccc(/N=C(\N)c3cccs3)cc2)n1
InChIInChI=1S/C15H12N4OS2/c16-13(12-2-1-7-21-12)18-10-5-3-9(4-6-10)15-19-11(8-22-15)14(17)20/h1-8H,(H2,16,18)(H2,17,20)
InChIKeyOPEBDFRSRKTJAE-UHFFFAOYSA-N
XLogP3.01
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
2-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide;hydrochloride
CID 142649841
2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxamide
CID 16915451
(2-oxo-2-thiophen-2-ylethyl) 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837935
4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide
CID 19353808
2-(2-bromophenyl)-1,3-thiazole-4-carboxamide
CID 116892022
2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 67515702
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide
CID 19353828
N'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide
CID 142085142
N-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-2-(1,2-oxazol-5-yl)acetamide
CID 141005855
N'-[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]thiophene-2-carboximidamide
CID 18976244
3-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,1-diphenylurea
CID 19353824

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,3-thiazole-4-carboxamide (CID 154489738) is 2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(-c2ccc(/N=C(\N)c3cccs3)cc2)n1.
What is the InChIKey of 2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is OPEBDFRSRKTJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS2/c16-13(12-2-1-7-21-12)18-10-5-3-9(4-6-10)15-19-11(8-22-15)14(17)20/h1-8H,(H2,16,18)(H2,17,20).
What are the key properties of 2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,3-thiazole-4-carboxamide?
2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 154489738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).