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

C22H27N5O3S — CID 127249888

IUPACN-[6-[4-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCOCc1ccc(OC)c(CN2CCOC(c3cccc(Nc4nnc(C)s4)n3)C2)c1
InChIInChI=1S/C22H27N5O3S/c1-15-25-26-22(31-15)24-21-6-4-5-18(23-21)20-13-27(9-10-30-20)12-17-11-16(14-28-2)7-8-19(17)29-3/h4-8,11,20H,9-10,12-14H2,1-3H3,(H,23,24,26)
InChIKeyFZNZJDXIFAQWRC-UHFFFAOYSA-N
MW441.56 g/mol
LogP3.71
Rot. Bonds8

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

N-[6-[4-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 127249888) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is N-[6-[4-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[6-[4-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID127249888
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC NameN-[6-[4-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCOCc1ccc(OC)c(CN2CCOC(c3cccc(Nc4nnc(C)s4)n3)C2)c1
InChIInChI=1S/C22H27N5O3S/c1-15-25-26-22(31-15)24-21-6-4-5-18(23-21)20-13-27(9-10-30-20)12-17-11-16(14-28-2)7-8-19(17)29-3/h4-8,11,20H,9-10,12-14H2,1-3H3,(H,23,24,26)
InChIKeyFZNZJDXIFAQWRC-UHFFFAOYSA-N
XLogP3.71
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 124977478
5-methyl-N-[6-[4-(quinolin-5-ylmethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
CID 127249866
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
N-[6-[4-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]morpholin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 110093053
2-(3-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127249734
5-ethyl-N-[6-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
CID 125016543
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
2-[2-methoxy-4-[[(2S)-2-[6-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methyl]phenoxy]acetamide
CID 125013560
6-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-2-yl]-N-methylpyridin-2-amine
CID 110112505
4,5-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 110093061
N-[6-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 124943201
5-ethyl-N-[6-[4-(2-phenylethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
CID 127249704

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[6-[4-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 127249888) is N-[6-[4-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[6-[4-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[6-[4-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine is COCc1ccc(OC)c(CN2CCOC(c3cccc(Nc4nnc(C)s4)n3)C2)c1.
What is the InChIKey of N-[6-[4-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is FZNZJDXIFAQWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-15-25-26-22(31-15)24-21-6-4-5-18(23-21)20-13-27(9-10-30-20)12-17-11-16(14-28-2)7-8-19(17)29-3/h4-8,11,20H,9-10,12-14H2,1-3H3,(H,23,24,26).
What are the key properties of N-[6-[4-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[6-[4-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 441.56 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 127249888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).