4-methyl-N-(3-phenylmethoxy-5-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine

C21H18N4OS — CID 16660502

IUPAC4-methyl-N-(3-phenylmethoxy-5-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(-c3cccnc3)cc2OCc2ccccc2)n1
InChIInChI=1S/C21H18N4OS/c1-15-14-27-21(24-15)25-20-19(26-13-16-6-3-2-4-7-16)10-18(12-23-20)17-8-5-9-22-11-17/h2-12,14H,13H2,1H3,(H,23,24,25)
InChIKeyCOXWLUCMYYNOLT-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.23
Rot. Bonds6

About 4-methyl-N-(3-phenylmethoxy-5-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine

4-methyl-N-(3-phenylmethoxy-5-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 16660502) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-methyl-N-(3-phenylmethoxy-5-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-phenylmethoxy-5-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID16660502
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name4-methyl-N-(3-phenylmethoxy-5-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(-c3cccnc3)cc2OCc2ccccc2)n1
InChIInChI=1S/C21H18N4OS/c1-15-14-27-21(24-15)25-20-19(26-13-16-6-3-2-4-7-16)10-18(12-23-20)17-8-5-9-22-11-17/h2-12,14H,13H2,1H3,(H,23,24,25)
InChIKeyCOXWLUCMYYNOLT-UHFFFAOYSA-N
XLogP5.23
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-phenylmethoxy-5-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-(3-phenylmethoxy-5-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine (CID 16660502) is 4-methyl-N-(3-phenylmethoxy-5-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(3-phenylmethoxy-5-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-(3-phenylmethoxy-5-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1csc(Nc2ncc(-c3cccnc3)cc2OCc2ccccc2)n1.
What is the InChIKey of 4-methyl-N-(3-phenylmethoxy-5-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is COXWLUCMYYNOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-15-14-27-21(24-15)25-20-19(26-13-16-6-3-2-4-7-16)10-18(12-23-20)17-8-5-9-22-11-17/h2-12,14H,13H2,1H3,(H,23,24,25).
What are the key properties of 4-methyl-N-(3-phenylmethoxy-5-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine?
4-methyl-N-(3-phenylmethoxy-5-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 374.47 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-phenylmethoxy-5-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 16660502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).