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

C17H17N3OS — CID 59225669

IUPAC4-methyl-N-(5-methyl-3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2nc(C)cs2)c(OCc2ccccc2)c1
InChIInChI=1S/C17H17N3OS/c1-12-8-15(21-10-14-6-4-3-5-7-14)16(18-9-12)20-17-19-13(2)11-22-17/h3-9,11H,10H2,1-2H3,(H,18,19,20)
InChIKeyQFOFZZJJRFMLKB-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.48
Rot. Bonds5

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

4-methyl-N-(5-methyl-3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 59225669) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-methyl-N-(5-methyl-3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(5-methyl-3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID59225669
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name4-methyl-N-(5-methyl-3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2nc(C)cs2)c(OCc2ccccc2)c1
InChIInChI=1S/C17H17N3OS/c1-12-8-15(21-10-14-6-4-3-5-7-14)16(18-9-12)20-17-19-13(2)11-22-17/h3-9,11H,10H2,1-2H3,(H,18,19,20)
InChIKeyQFOFZZJJRFMLKB-UHFFFAOYSA-N
XLogP4.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 59225651
N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 86639683
N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 72702870
4-methyl-N-[5-(2-phenylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine
CID 16660841
N-[5-[3-(dimethylamino)propyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 59225678
N-[5-[3-(dimethylamino)prop-1-enyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride
CID 173066450
N-[5-[(E)-3-(dimethylamino)prop-1-enyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride
CID 86639688
4-methyl-N-[5-(morpholin-4-ylmethyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride
CID 86639686
1-(4-methylpiperazin-1-yl)-2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]ethanone
CID 16661005
N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 24765640
2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 87374565
4-methyl-N-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-phenoxy-2-pyridinyl]-1,3-thiazol-2-amine
CID 24765373

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-methyl-3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-(5-methyl-3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine (CID 59225669) is 4-methyl-N-(5-methyl-3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(5-methyl-3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-(5-methyl-3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine is Cc1cnc(Nc2nc(C)cs2)c(OCc2ccccc2)c1.
What is the InChIKey of 4-methyl-N-(5-methyl-3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is QFOFZZJJRFMLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-12-8-15(21-10-14-6-4-3-5-7-14)16(18-9-12)20-17-19-13(2)11-22-17/h3-9,11H,10H2,1-2H3,(H,18,19,20).
What are the key properties of 4-methyl-N-(5-methyl-3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine?
4-methyl-N-(5-methyl-3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 311.41 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-methyl-3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 59225669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).