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

C16H15N3OS — CID 16660015

IUPAC4-methyl-N-(3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncccc2OCc2ccccc2)n1
InChIInChI=1S/C16H15N3OS/c1-12-11-21-16(18-12)19-15-14(8-5-9-17-15)20-10-13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyLPJWCRSWBACCSH-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.17
Rot. Bonds5

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

4-methyl-N-(3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 16660015) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-methyl-N-(3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID16660015
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4-methyl-N-(3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncccc2OCc2ccccc2)n1
InChIInChI=1S/C16H15N3OS/c1-12-11-21-16(18-12)19-15-14(8-5-9-17-15)20-10-13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyLPJWCRSWBACCSH-UHFFFAOYSA-N
XLogP4.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.17
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-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-(3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine (CID 16660015) is 4-methyl-N-(3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-(3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine is Cc1csc(Nc2ncccc2OCc2ccccc2)n1.
What is the InChIKey of 4-methyl-N-(3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is LPJWCRSWBACCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-12-11-21-16(18-12)19-15-14(8-5-9-17-15)20-10-13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,17,18,19).
What are the key properties of 4-methyl-N-(3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine?
4-methyl-N-(3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 297.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 16660015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).