5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propyl-1,3-thiazol-2-amine

C13H23N3S2 — CID 79771395

IUPAC5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN2CC(C)SC(C)C2)s1
InChIInChI=1S/C13H23N3S2/c1-4-5-14-13-15-6-12(18-13)9-16-7-10(2)17-11(3)8-16/h6,10-11H,4-5,7-9H2,1-3H3,(H,14,15)
InChIKeyNEYLKXBUBRFBFK-UHFFFAOYSA-N
MW285.48 g/mol
LogP3.29
Rot. Bonds5

About 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propyl-1,3-thiazol-2-amine

5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 79771395) has the molecular formula C13H23N3S2 and a molecular weight of 285.48 g/mol. Its IUPAC name is 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID79771395
Molecular FormulaC13H23N3S2
Molecular Weight285.48 g/mol
Exact Mass285.13
IUPAC Name5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN2CC(C)SC(C)C2)s1
InChIInChI=1S/C13H23N3S2/c1-4-5-14-13-15-6-12(18-13)9-16-7-10(2)17-11(3)8-16/h6,10-11H,4-5,7-9H2,1-3H3,(H,14,15)
InChIKeyNEYLKXBUBRFBFK-UHFFFAOYSA-N
XLogP3.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,6-dimethylpiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79771437
5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774545
5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774542
1-[1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanol
CID 106837645
5-[(3-methoxypiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 102966743
5-(1,4-oxazepan-4-ylmethyl)-N-propyl-1,3-thiazol-2-amine
CID 79771866
5-[(4-propan-2-ylazepan-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79772633
N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3-thiazol-2-amine
CID 79761275
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
4-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]-1,4-diazepan-2-one
CID 79774066
1-cyclopropyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazol-2-one
CID 80583453
4-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]morpholin-3-one
CID 79775133

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propyl-1,3-thiazol-2-amine (CID 79771395) is 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(CN2CC(C)SC(C)C2)s1.
What is the InChIKey of 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is NEYLKXBUBRFBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S2/c1-4-5-14-13-15-6-12(18-13)9-16-7-10(2)17-11(3)8-16/h6,10-11H,4-5,7-9H2,1-3H3,(H,14,15).
What are the key properties of 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propyl-1,3-thiazol-2-amine?
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 285.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79771395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).