2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one

C11H17N3O2S2 — CID 43117472

IUPAC2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
SMILESCc1nc(N)sc1SC(C)C(=O)N1CCOCC1
InChIInChI=1S/C11H17N3O2S2/c1-7-10(18-11(12)13-7)17-8(2)9(15)14-3-5-16-6-4-14/h8H,3-6H2,1-2H3,(H2,12,13)
InChIKeyHKOQCKMJVBMMTE-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.37
Rot. Bonds3

About 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one

2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one (PubChem CID 43117472) has the molecular formula C11H17N3O2S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
PubChem CID43117472
Molecular FormulaC11H17N3O2S2
Molecular Weight287.41 g/mol
Exact Mass287.08
IUPAC Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
SMILESCc1nc(N)sc1SC(C)C(=O)N1CCOCC1
InChIInChI=1S/C11H17N3O2S2/c1-7-10(18-11(12)13-7)17-8(2)9(15)14-3-5-16-6-4-14/h8H,3-6H2,1-2H3,(H2,12,13)
InChIKeyHKOQCKMJVBMMTE-UHFFFAOYSA-N
XLogP1.37
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 61358066
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide
CID 43117451
(2S)-2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 25496187
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide
CID 43117478
4-amino-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidine-5-carbonitrile
CID 43028554
(2S)-2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 40791078
(2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 28632965
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 16525767
(2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 41138346
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylpropan-1-one
CID 46638582
2-(4-amino-2-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 79830536
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94600145

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one (CID 43117472) is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one is Cc1nc(N)sc1SC(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is HKOQCKMJVBMMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S2/c1-7-10(18-11(12)13-7)17-8(2)9(15)14-3-5-16-6-4-14/h8H,3-6H2,1-2H3,(H2,12,13).
What are the key properties of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 287.41 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 43117472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).