N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine

C19H27N3O2S — CID 77097932

IUPACN-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine
SMILESCc1csc(CN(C)Cc2cccc(OCCN3CCOCC3)c2)n1
InChIInChI=1S/C19H27N3O2S/c1-16-15-25-19(20-16)14-21(2)13-17-4-3-5-18(12-17)24-11-8-22-6-9-23-10-7-22/h3-5,12,15H,6-11,13-14H2,1-2H3
InChIKeyKDVAZLGLDAVBSV-UHFFFAOYSA-N
MW361.51 g/mol
LogP2.79
Rot. Bonds8

About N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine

N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine (PubChem CID 77097932) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine
PubChem CID77097932
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine
SMILESCc1csc(CN(C)Cc2cccc(OCCN3CCOCC3)c2)n1
InChIInChI=1S/C19H27N3O2S/c1-16-15-25-19(20-16)14-21(2)13-17-4-3-5-18(12-17)24-11-8-22-6-9-23-10-7-22/h3-5,12,15H,6-11,13-14H2,1-2H3
InChIKeyKDVAZLGLDAVBSV-UHFFFAOYSA-N
XLogP2.79
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine with MolForge

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Related Compounds

[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 109424380
2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-1-amine
CID 39400901
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 167465334
4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine
CID 10195770
3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
CID 120503385
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326
4-[2-[8-(thiophen-2-ylmethoxy)phenazin-2-yl]oxyethyl]morpholine
CID 155191722
1-(azepan-1-yl)-3-[3-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenoxy]propan-2-ol
CID 45207449
2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22687524

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine (CID 77097932) is N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine is Cc1csc(CN(C)Cc2cccc(OCCN3CCOCC3)c2)n1.
What is the InChIKey of N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine?
The InChIKey is KDVAZLGLDAVBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-16-15-25-19(20-16)14-21(2)13-17-4-3-5-18(12-17)24-11-8-22-6-9-23-10-7-22/h3-5,12,15H,6-11,13-14H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine?
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine has a molecular weight of 361.51 g/mol, XLogP of 2.79, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine is sourced from PubChem (CID 77097932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).