5-[(2,2-diethylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine

C12H21N3S2 — CID 120905195

IUPAC5-[(2,2-diethylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCCC1(CC)CN(Cc2cnc(N)s2)CCS1
InChIInChI=1S/C12H21N3S2/c1-3-12(4-2)9-15(5-6-16-12)8-10-7-14-11(13)17-10/h7H,3-6,8-9H2,1-2H3,(H2,13,14)
InChIKeyQXUYSJWXPLIJBQ-UHFFFAOYSA-N
MW271.45 g/mol
LogP2.83
Rot. Bonds4

About 5-[(2,2-diethylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine

5-[(2,2-diethylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 120905195) has the molecular formula C12H21N3S2 and a molecular weight of 271.45 g/mol. Its IUPAC name is 5-[(2,2-diethylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2,2-diethylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
PubChem CID120905195
Molecular FormulaC12H21N3S2
Molecular Weight271.45 g/mol
Exact Mass271.12
IUPAC Name5-[(2,2-diethylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCCC1(CC)CN(Cc2cnc(N)s2)CCS1
InChIInChI=1S/C12H21N3S2/c1-3-12(4-2)9-15(5-6-16-12)8-10-7-14-11(13)17-10/h7H,3-6,8-9H2,1-2H3,(H2,13,14)
InChIKeyQXUYSJWXPLIJBQ-UHFFFAOYSA-N
XLogP2.83
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899612
5-(6-azaspiro[3.5]nonan-6-ylmethyl)-1,3-thiazol-2-amine
CID 120903504
5-[(3,3,5,5-tetramethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903964
5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903163
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 115882742
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899926
5-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903924
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-[(8-methyl-2-azaspiro[4.4]nonan-2-yl)methyl]-1,3-thiazol-2-amine
CID 120902228
5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897629
5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 115883982

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-diethylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2,2-diethylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine (CID 120905195) is 5-[(2,2-diethylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2,2-diethylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2,2-diethylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine is CCC1(CC)CN(Cc2cnc(N)s2)CCS1.
What is the InChIKey of 5-[(2,2-diethylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is QXUYSJWXPLIJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S2/c1-3-12(4-2)9-15(5-6-16-12)8-10-7-14-11(13)17-10/h7H,3-6,8-9H2,1-2H3,(H2,13,14).
What are the key properties of 5-[(2,2-diethylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine?
5-[(2,2-diethylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 271.45 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-diethylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120905195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).