(2-amino-5-chloro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone

C12H16ClN3OS — CID 114923710

IUPAC(2-amino-5-chloro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(N)ncc2Cl)CC(C)S1
InChIInChI=1S/C12H16ClN3OS/c1-7-5-16(6-8(2)18-7)12(17)9-3-11(14)15-4-10(9)13/h3-4,7-8H,5-6H2,1-2H3,(H2,14,15)
InChIKeyVSVGCMMQUOTQSU-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.28
Rot. Bonds1

About (2-amino-5-chloro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone

(2-amino-5-chloro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone (PubChem CID 114923710) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is (2-amino-5-chloro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-chloro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
PubChem CID114923710
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC Name(2-amino-5-chloro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(N)ncc2Cl)CC(C)S1
InChIInChI=1S/C12H16ClN3OS/c1-7-5-16(6-8(2)18-7)12(17)9-3-11(14)15-4-10(9)13/h3-4,7-8H,5-6H2,1-2H3,(H2,14,15)
InChIKeyVSVGCMMQUOTQSU-UHFFFAOYSA-N
XLogP2.28
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-amino-5-chloro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone with MolForge

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Related Compounds

(2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 114924651
[5-chloro-2-(ethylamino)-4-pyridinyl]-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 114923708
(2-amino-5-chloro-4-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102966244
(2-amino-5-chloro-4-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 114923992
(2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 114923213
(2-amino-5-chloro-4-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 114921648
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-amino-5-chloro-4-pyridinyl)methanone
CID 114922388
(2-amino-5-chloro-4-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 114923810
6-(2-amino-5-chloropyridine-4-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 114924225
(2-chloro-5-nitro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 103734032
(2-amino-5-chloro-4-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 114923574
(2-amino-5-chloro-4-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 114922444

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone?
The IUPAC name of (2-amino-5-chloro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone (CID 114923710) is (2-amino-5-chloro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (2-amino-5-chloro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone?
The canonical SMILES for (2-amino-5-chloro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(N)ncc2Cl)CC(C)S1.
What is the InChIKey of (2-amino-5-chloro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone?
The InChIKey is VSVGCMMQUOTQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3OS/c1-7-5-16(6-8(2)18-7)12(17)9-3-11(14)15-4-10(9)13/h3-4,7-8H,5-6H2,1-2H3,(H2,14,15).
What are the key properties of (2-amino-5-chloro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone?
(2-amino-5-chloro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone has a molecular weight of 285.80 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 114923710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).