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

C23H22ClN3OS — CID 86639683

IUPACN-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
SMILESCc1csc(Nc2ncc(Cc3ccccc3)cc2OCc2ccccc2)n1.Cl
InChIInChI=1S/C23H21N3OS.ClH/c1-17-16-28-23(25-17)26-22-21(27-15-19-10-6-3-7-11-19)13-20(14-24-22)12-18-8-4-2-5-9-18;/h2-11,13-14,16H,12,15H2,1H3,(H,24,25,26);1H
InChIKeyJDHUTQRFKXKVAS-UHFFFAOYSA-N
MW423.97 g/mol
LogP6.18
Rot. Bonds7

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

N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride (PubChem CID 86639683) has the molecular formula C23H22ClN3OS and a molecular weight of 423.97 g/mol. Its IUPAC name is N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
PubChem CID86639683
Molecular FormulaC23H22ClN3OS
Molecular Weight423.97 g/mol
Exact Mass423.12
IUPAC NameN-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
SMILESCc1csc(Nc2ncc(Cc3ccccc3)cc2OCc2ccccc2)n1.Cl
InChIInChI=1S/C23H21N3OS.ClH/c1-17-16-28-23(25-17)26-22-21(27-15-19-10-6-3-7-11-19)13-20(14-24-22)12-18-8-4-2-5-9-18;/h2-11,13-14,16H,12,15H2,1H3,(H,24,25,26);1H
InChIKeyJDHUTQRFKXKVAS-UHFFFAOYSA-N
XLogP6.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.97
LogP ≤ 56.18
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
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-(morpholin-4-ylmethyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride
CID 86639686
4-methyl-N-[5-(2-phenylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine
CID 16660841
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
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
N-[5-(3-methoxyphenyl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 24764712

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride (CID 86639683) is N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride is Cc1csc(Nc2ncc(Cc3ccccc3)cc2OCc2ccccc2)n1.Cl.
What is the InChIKey of N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is JDHUTQRFKXKVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS.ClH/c1-17-16-28-23(25-17)26-22-21(27-15-19-10-6-3-7-11-19)13-20(14-24-22)12-18-8-4-2-5-9-18;/h2-11,13-14,16H,12,15H2,1H3,(H,24,25,26);1H.
What are the key properties of N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride?
N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 86639683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).