N-methyl-N-[[3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine

C16H23N5OS — CID 53162814

IUPACN-methyl-N-[[3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
SMILESCCCN(C)Cc1nc(-c2ccc(N3CCSCC3)nc2)no1
InChIInChI=1S/C16H23N5OS/c1-3-6-20(2)12-15-18-16(19-22-15)13-4-5-14(17-11-13)21-7-9-23-10-8-21/h4-5,11H,3,6-10,12H2,1-2H3
InChIKeyIGRJMZZRUVLCGT-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.53
Rot. Bonds6

About N-methyl-N-[[3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine

N-methyl-N-[[3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine (PubChem CID 53162814) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-methyl-N-[[3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
PubChem CID53162814
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-methyl-N-[[3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
SMILESCCCN(C)Cc1nc(-c2ccc(N3CCSCC3)nc2)no1
InChIInChI=1S/C16H23N5OS/c1-3-6-20(2)12-15-18-16(19-22-15)13-4-5-14(17-11-13)21-7-9-23-10-8-21/h4-5,11H,3,6-10,12H2,1-2H3
InChIKeyIGRJMZZRUVLCGT-UHFFFAOYSA-N
XLogP2.53
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[[3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine with MolForge

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Related Compounds

5-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 95100376
3-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
CID 53162684
1,3-benzothiazol-2-yl-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90491337
N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 51223980
[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 90491287
6-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 90491302
3-(4-tert-butylphenyl)-5-[(6-thiomorpholin-4-ylpyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 95918161
5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 95100346
[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90491305
1-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 90491330
1-[5-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-4-ol
CID 138018641
N-[(1S)-1-phenyl-2-[3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 99033304

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-methyl-N-[[3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine (CID 53162814) is N-methyl-N-[[3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[[3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-methyl-N-[[3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine is CCCN(C)Cc1nc(-c2ccc(N3CCSCC3)nc2)no1.
What is the InChIKey of N-methyl-N-[[3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The InChIKey is IGRJMZZRUVLCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-3-6-20(2)12-15-18-16(19-22-15)13-4-5-14(17-11-13)21-7-9-23-10-8-21/h4-5,11H,3,6-10,12H2,1-2H3.
What are the key properties of N-methyl-N-[[3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
N-methyl-N-[[3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine has a molecular weight of 333.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 53162814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).