4-methyl-N-(3-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine

C15H13N3OS — CID 24765842

IUPAC4-methyl-N-(3-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncccc2Oc2ccccc2)n1
InChIInChI=1S/C15H13N3OS/c1-11-10-20-15(17-11)18-14-13(8-5-9-16-14)19-12-6-3-2-4-7-12/h2-10H,1H3,(H,16,17,18)
InChIKeyVSZXWBUCYVJAHD-UHFFFAOYSA-N
MW283.36 g/mol
LogP4.38
Rot. Bonds4

About 4-methyl-N-(3-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine

4-methyl-N-(3-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 24765842) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 4-methyl-N-(3-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID24765842
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name4-methyl-N-(3-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncccc2Oc2ccccc2)n1
InChIInChI=1S/C15H13N3OS/c1-11-10-20-15(17-11)18-14-13(8-5-9-16-14)19-12-6-3-2-4-7-12/h2-10H,1H3,(H,16,17,18)
InChIKeyVSZXWBUCYVJAHD-UHFFFAOYSA-N
XLogP4.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-(3-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine (CID 24765842) is 4-methyl-N-(3-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(3-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-(3-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine is Cc1csc(Nc2ncccc2Oc2ccccc2)n1.
What is the InChIKey of 4-methyl-N-(3-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is VSZXWBUCYVJAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-11-10-20-15(17-11)18-14-13(8-5-9-16-14)19-12-6-3-2-4-7-12/h2-10H,1H3,(H,16,17,18).
What are the key properties of 4-methyl-N-(3-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine?
4-methyl-N-(3-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 283.36 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 24765842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).