[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)morpholin-4-yl]methanone

C13H22N4O3S — CID 116673825

IUPAC[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCCN(CC)c1nc(N)c(C(=O)N2CCOCC2CO)s1
InChIInChI=1S/C13H22N4O3S/c1-3-16(4-2)13-15-11(14)10(21-13)12(19)17-5-6-20-8-9(17)7-18/h9,18H,3-8,14H2,1-2H3
InChIKeyYRHAHPJCJAGCPI-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.40
Rot. Bonds5

About [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)morpholin-4-yl]methanone

[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 116673825) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID116673825
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCCN(CC)c1nc(N)c(C(=O)N2CCOCC2CO)s1
InChIInChI=1S/C13H22N4O3S/c1-3-16(4-2)13-15-11(14)10(21-13)12(19)17-5-6-20-8-9(17)7-18/h9,18H,3-8,14H2,1-2H3
InChIKeyYRHAHPJCJAGCPI-UHFFFAOYSA-N
XLogP0.40
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(3-ethylmorpholin-4-yl)methanone
CID 116670502
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylmorpholin-4-yl)methanone
CID 116663294
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-methylmorpholin-4-yl)methanone
CID 116670087
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-methylthiomorpholin-4-yl)methanone
CID 116666636
4-[4-amino-2-(diethylamino)-1,3-thiazole-5-carbonyl]-3-methylpiperazin-2-one
CID 116666166
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 116669079
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 116666684
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone
CID 116672457
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(1,4-oxazepan-4-yl)methanone
CID 116665736
ethyl 4-[3-(hydroxymethyl)morpholine-4-carbonyl]-1,3-thiazole-2-carboxylate
CID 116698306
(3-amino-4-bromo-1-benzothiophen-2-yl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 114889369
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 116665413

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)morpholin-4-yl]methanone (CID 116673825) is [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)morpholin-4-yl]methanone is CCN(CC)c1nc(N)c(C(=O)N2CCOCC2CO)s1.
What is the InChIKey of [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is YRHAHPJCJAGCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-3-16(4-2)13-15-11(14)10(21-13)12(19)17-5-6-20-8-9(17)7-18/h9,18H,3-8,14H2,1-2H3.
What are the key properties of [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)morpholin-4-yl]methanone?
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 314.41 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 116673825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).