N-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine

C21H25N5O2S — CID 124977478

IUPACN-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCOc1cc(C)ccc1CN1CCO[C@H](c2cccc(Nc3nnc(C)s3)n2)C1
InChIInChI=1S/C21H25N5O2S/c1-14-7-8-16(18(11-14)27-3)12-26-9-10-28-19(13-26)17-5-4-6-20(22-17)23-21-25-24-15(2)29-21/h4-8,11,19H,9-10,12-13H2,1-3H3,(H,22,23,25)/t19-/m0/s1
InChIKeyLMMOJICLGCAYLM-IBGZPJMESA-N
MW411.53 g/mol
LogP3.88
Rot. Bonds6

About N-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine

N-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 124977478) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID124977478
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC NameN-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCOc1cc(C)ccc1CN1CCO[C@H](c2cccc(Nc3nnc(C)s3)n2)C1
InChIInChI=1S/C21H25N5O2S/c1-14-7-8-16(18(11-14)27-3)12-26-9-10-28-19(13-26)17-5-4-6-20(22-17)23-21-25-24-15(2)29-21/h4-8,11,19H,9-10,12-13H2,1-3H3,(H,22,23,25)/t19-/m0/s1
InChIKeyLMMOJICLGCAYLM-IBGZPJMESA-N
XLogP3.88
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[4-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 127249888
5-methyl-N-[6-[4-(quinolin-5-ylmethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
CID 127249866
6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 127251780
5-methyl-N-[6-[(2R)-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
CID 125002482
5-ethyl-N-[6-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
CID 125016543
4-[6-[(2R)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 125025576
2-(3-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127249734
N-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 127249181
1-(4-methylpiperidin-1-yl)-2-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127249718
(2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine
CID 124973703
N-[6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110093978
6-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-2-yl]-N-methylpyridin-2-amine
CID 110112505

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 124977478) is N-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine is COc1cc(C)ccc1CN1CCO[C@H](c2cccc(Nc3nnc(C)s3)n2)C1.
What is the InChIKey of N-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is LMMOJICLGCAYLM-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-14-7-8-16(18(11-14)27-3)12-26-9-10-28-19(13-26)17-5-4-6-20(22-17)23-21-25-24-15(2)29-21/h4-8,11,19H,9-10,12-13H2,1-3H3,(H,22,23,25)/t19-/m0/s1.
What are the key properties of N-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 411.53 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 124977478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).