4-benzyl-N-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine

C16H17N3OS — CID 63261261

IUPAC4-benzyl-N-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(NC2=NC(Cc3ccccc3)CS2)cn1
InChIInChI=1S/C16H17N3OS/c1-20-15-8-7-13(10-17-15)18-16-19-14(11-21-16)9-12-5-3-2-4-6-12/h2-8,10,14H,9,11H2,1H3,(H,18,19)
InChIKeyKMOVFLSKLNRCPT-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.22
Rot. Bonds4

About 4-benzyl-N-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine

4-benzyl-N-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63261261) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-benzyl-N-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-benzyl-N-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63261261
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name4-benzyl-N-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(NC2=NC(Cc3ccccc3)CS2)cn1
InChIInChI=1S/C16H17N3OS/c1-20-15-8-7-13(10-17-15)18-16-19-14(11-21-16)9-12-5-3-2-4-6-12/h2-8,10,14H,9,11H2,1H3,(H,18,19)
InChIKeyKMOVFLSKLNRCPT-UHFFFAOYSA-N
XLogP3.22
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261697
N-(6-methoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439907
4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261477
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 115487437
N-(6-methoxy-3-pyridinyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51143040
N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide
CID 107020855
N-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 78879011
6-methoxy-N-(5-methylthiolan-3-yl)pyridin-3-amine
CID 79941406
6-methoxy-N-(2-phenylsulfanylethyl)pyridin-3-amine
CID 79213880
N-(4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61247548
N-(6-methoxy-3-pyridinyl)-2-phenylmethoxybenzamide
CID 2344191

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-benzyl-N-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63261261) is 4-benzyl-N-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-benzyl-N-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-benzyl-N-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine is COc1ccc(NC2=NC(Cc3ccccc3)CS2)cn1.
What is the InChIKey of 4-benzyl-N-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KMOVFLSKLNRCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-20-15-8-7-13(10-17-15)18-16-19-14(11-21-16)9-12-5-3-2-4-6-12/h2-8,10,14H,9,11H2,1H3,(H,18,19).
What are the key properties of 4-benzyl-N-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine?
4-benzyl-N-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 299.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63261261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).