4-methyl-N-[5-(morpholin-4-ylmethyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride

C21H26Cl2N4O2S — CID 86639686

IUPAC4-methyl-N-[5-(morpholin-4-ylmethyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride
SMILESCc1csc(Nc2ncc(CN3CCOCC3)cc2OCc2ccccc2)n1.Cl.Cl
InChIInChI=1S/C21H24N4O2S.2ClH/c1-16-15-28-21(23-16)24-20-19(27-14-17-5-3-2-4-6-17)11-18(12-22-20)13-25-7-9-26-10-8-25;;/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,22,23,24);2*1H
InChIKeyKNWMSCCEPXIUTF-UHFFFAOYSA-N
MW469.44 g/mol
LogP4.84
Rot. Bonds7

About 4-methyl-N-[5-(morpholin-4-ylmethyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride

4-methyl-N-[5-(morpholin-4-ylmethyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 86639686) has the molecular formula C21H26Cl2N4O2S and a molecular weight of 469.44 g/mol. Its IUPAC name is 4-methyl-N-[5-(morpholin-4-ylmethyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name4-methyl-N-[5-(morpholin-4-ylmethyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride
PubChem CID86639686
Molecular FormulaC21H26Cl2N4O2S
Molecular Weight469.44 g/mol
Exact Mass468.12
IUPAC Name4-methyl-N-[5-(morpholin-4-ylmethyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride
SMILESCc1csc(Nc2ncc(CN3CCOCC3)cc2OCc2ccccc2)n1.Cl.Cl
InChIInChI=1S/C21H24N4O2S.2ClH/c1-16-15-28-21(23-16)24-20-19(27-14-17-5-3-2-4-6-17)11-18(12-22-20)13-25-7-9-26-10-8-25;;/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,22,23,24);2*1H
InChIKeyKNWMSCCEPXIUTF-UHFFFAOYSA-N
XLogP4.84
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-N-[5-(morpholin-4-ylmethyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride with MolForge

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Related Compounds

N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 86639683
N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 59225651
4-methyl-N-(5-methyl-3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 59225669
N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 72702870
N-[5-[3-(dimethylamino)propyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 59225678
4-methyl-N-[5-(2-phenylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine
CID 16660841
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-[(E)-3-(dimethylamino)prop-1-enyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride
CID 86639688
N-[5-[3-(dimethylamino)prop-1-enyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride
CID 173066450
2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 87374565
N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 24765640
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289415

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(morpholin-4-ylmethyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride?
The IUPAC name of 4-methyl-N-[5-(morpholin-4-ylmethyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride (CID 86639686) is 4-methyl-N-[5-(morpholin-4-ylmethyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride.
What is the SMILES notation for 4-methyl-N-[5-(morpholin-4-ylmethyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride?
The canonical SMILES for 4-methyl-N-[5-(morpholin-4-ylmethyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride is Cc1csc(Nc2ncc(CN3CCOCC3)cc2OCc2ccccc2)n1.Cl.Cl.
What is the InChIKey of 4-methyl-N-[5-(morpholin-4-ylmethyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride?
The InChIKey is KNWMSCCEPXIUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S.2ClH/c1-16-15-28-21(23-16)24-20-19(27-14-17-5-3-2-4-6-17)11-18(12-22-20)13-25-7-9-26-10-8-25;;/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,22,23,24);2*1H.
What are the key properties of 4-methyl-N-[5-(morpholin-4-ylmethyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride?
4-methyl-N-[5-(morpholin-4-ylmethyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 469.44 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(morpholin-4-ylmethyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride is sourced from PubChem (CID 86639686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).