N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

C18H21N5OS2 — CID 133443347

IUPACN-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCN(CC(c1cccs1)N1CCOCC1)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C18H21N5OS2/c1-22(18-21-20-17(26-18)14-5-2-3-7-19-14)13-15(16-6-4-12-25-16)23-8-10-24-11-9-23/h2-7,12,15H,8-11,13H2,1H3
InChIKeyRETKVIRWIKZHBP-UHFFFAOYSA-N
MW387.53 g/mol
LogP3.17
Rot. Bonds6

About N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 133443347) has the molecular formula C18H21N5OS2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID133443347
Molecular FormulaC18H21N5OS2
Molecular Weight387.53 g/mol
Exact Mass387.12
IUPAC NameN-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCN(CC(c1cccs1)N1CCOCC1)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C18H21N5OS2/c1-22(18-21-20-17(26-18)14-5-2-3-7-19-14)13-15(16-6-4-12-25-16)23-8-10-24-11-9-23/h2-7,12,15H,8-11,13H2,1H3
InChIKeyRETKVIRWIKZHBP-UHFFFAOYSA-N
XLogP3.17
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133467141
N-methyl-N-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133455197
2-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride
CID 119880785
N-methyl-5-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 133466920
(2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine
CID 95767529
N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-yn-1-amine
CID 75422289
N-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]but-2-yn-1-amine
CID 97318047
N-[(4-bromophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133467109
(2R)-1-[methyl-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-3-methylsulfanylpropan-2-ol
CID 99787684
4-N,4-N-dimethyl-2-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 133382668
(2S)-N-methyl-2-morpholin-4-yl-N-(2-propan-2-yloxyethyl)-2-thiophen-2-ylethanamine
CID 97085403
N-[2-[methyl-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]ethyl]methanesulfonamide
CID 96998377

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 133443347) is N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is CN(CC(c1cccs1)N1CCOCC1)c1nnc(-c2ccccn2)s1.
What is the InChIKey of N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is RETKVIRWIKZHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS2/c1-22(18-21-20-17(26-18)14-5-2-3-7-19-14)13-15(16-6-4-12-25-16)23-8-10-24-11-9-23/h2-7,12,15H,8-11,13H2,1H3.
What are the key properties of N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 387.53 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133443347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).