N-[(3-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine

C17H23N3O2S — CID 167466276

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(CN(C)c2nc(CN3CCOCC3)cs2)c1
InChIInChI=1S/C17H23N3O2S/c1-19(11-14-4-3-5-16(10-14)21-2)17-18-15(13-23-17)12-20-6-8-22-9-7-20/h3-5,10,13H,6-9,11-12H2,1-2H3
InChIKeyAKRGVKNTDCNFSA-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.62
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine

N-[(3-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 167466276) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
PubChem CID167466276
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(CN(C)c2nc(CN3CCOCC3)cs2)c1
InChIInChI=1S/C17H23N3O2S/c1-19(11-14-4-3-5-16(10-14)21-2)17-18-15(13-23-17)12-20-6-8-22-9-7-20/h3-5,10,13H,6-9,11-12H2,1-2H3
InChIKeyAKRGVKNTDCNFSA-UHFFFAOYSA-N
XLogP2.62
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 167465334
3-[2-[(3-methoxyphenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487225
N-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-amine
CID 167465454
4-[(dimethylamino)methyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 167465546
N-[(3-methoxyphenyl)methyl]-4-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
CID 167465265
N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-oxazol-2-amine
CID 167465845
N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)ethoxymethyl]-1,3-thiazol-2-amine
CID 167465485
3-(3-methoxyphenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]propanamide
CID 75470653
N-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 167465553
4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 17375794
N-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)aniline
CID 167465773
N,N-bis[(3-methoxyphenyl)methyl]-4-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxymethyl]-1,3-thiazol-2-amine
CID 167465887

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine (CID 167466276) is N-[(3-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine is COc1cccc(CN(C)c2nc(CN3CCOCC3)cs2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is AKRGVKNTDCNFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-19(11-14-4-3-5-16(10-14)21-2)17-18-15(13-23-17)12-20-6-8-22-9-7-20/h3-5,10,13H,6-9,11-12H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine?
N-[(3-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 333.46 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 167466276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).