N-[(E)-butan-2-ylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine

C15H19N3O2S — CID 71741285

IUPACN-[(E)-butan-2-ylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCC/C(C)=N/Nc1nc(-c2ccc(OC)cc2OC)cs1
InChIInChI=1S/C15H19N3O2S/c1-5-10(2)17-18-15-16-13(9-21-15)12-7-6-11(19-3)8-14(12)20-4/h6-9H,5H2,1-4H3,(H,16,18)/b17-10+
InChIKeyYTORIWIMZFAQEO-LICLKQGHSA-N
MW305.40 g/mol
LogP4.03
Rot. Bonds6

About N-[(E)-butan-2-ylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine

N-[(E)-butan-2-ylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 71741285) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(E)-butan-2-ylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-butan-2-ylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID71741285
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[(E)-butan-2-ylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCC/C(C)=N/Nc1nc(-c2ccc(OC)cc2OC)cs1
InChIInChI=1S/C15H19N3O2S/c1-5-10(2)17-18-15-16-13(9-21-15)12-7-6-11(19-3)8-14(12)20-4/h6-9H,5H2,1-4H3,(H,16,18)/b17-10+
InChIKeyYTORIWIMZFAQEO-LICLKQGHSA-N
XLogP4.03
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 54.03
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 N-[(E)-butan-2-ylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-butan-2-ylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine (CID 71741285) is N-[(E)-butan-2-ylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-butan-2-ylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-butan-2-ylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine is CC/C(C)=N/Nc1nc(-c2ccc(OC)cc2OC)cs1.
What is the InChIKey of N-[(E)-butan-2-ylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is YTORIWIMZFAQEO-LICLKQGHSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-5-10(2)17-18-15-16-13(9-21-15)12-7-6-11(19-3)8-14(12)20-4/h6-9H,5H2,1-4H3,(H,16,18)/b17-10+.
What are the key properties of N-[(E)-butan-2-ylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
N-[(E)-butan-2-ylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 305.40 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-butan-2-ylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 71741285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).