4-(2,4-dimethoxyphenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine

C14H17N3O2S — CID 71741284

IUPAC4-(2,4-dimethoxyphenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(NN=C(C)C)n2)c(OC)c1
InChIInChI=1S/C14H17N3O2S/c1-9(2)16-17-14-15-12(8-20-14)11-6-5-10(18-3)7-13(11)19-4/h5-8H,1-4H3,(H,15,17)
InChIKeyBQYKHJSEQSRESR-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.63
Rot. Bonds5

About 4-(2,4-dimethoxyphenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine

4-(2,4-dimethoxyphenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine (PubChem CID 71741284) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine
PubChem CID71741284
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-(2,4-dimethoxyphenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(NN=C(C)C)n2)c(OC)c1
InChIInChI=1S/C14H17N3O2S/c1-9(2)16-17-14-15-12(8-20-14)11-6-5-10(18-3)7-13(11)19-4/h5-8H,1-4H3,(H,15,17)
InChIKeyBQYKHJSEQSRESR-UHFFFAOYSA-N
XLogP3.63
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.63
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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Related Compounds

2-Amino-4-(4-methoxyphenyl)thiazole
CID 159644
4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 332397
4-(2-Methoxy-phenyl)-thiazol-2-ylamine
CID 735252
4-(3-Fluoro-4-methoxyphenyl)-2-thiazolamine
CID 2759006
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
CID 3780371
2-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-4-phenyl-1,3-thiazole
CID 5710390
4-(4-Ethoxyphenyl)-1,3-thiazol-2-amine
CID 613217
4-(2,5-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
4-(2-Amino-1,3-thiazol-4-yl)benzene-1,3-diol
CID 767450
4-{4-[(4-Methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine
CID 145704648
4-(2,4-Dimethoxyphenyl)-2-phenyl-1,3-thiazole
CID 2441960
N-cyclohexyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 2620735

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine (CID 71741284) is 4-(2,4-dimethoxyphenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine is COc1ccc(-c2csc(NN=C(C)C)n2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine?
The InChIKey is BQYKHJSEQSRESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9(2)16-17-14-15-12(8-20-14)11-6-5-10(18-3)7-13(11)19-4/h5-8H,1-4H3,(H,15,17).
What are the key properties of 4-(2,4-dimethoxyphenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine?
4-(2,4-dimethoxyphenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine has a molecular weight of 291.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine is sourced from PubChem (CID 71741284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).