[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone

C12H17ClN2OS2 — CID 75489555

IUPAC[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
SMILESCC(C)Cc1sc(Cl)nc1C(=O)N1CCSCC1
InChIInChI=1S/C12H17ClN2OS2/c1-8(2)7-9-10(14-12(13)18-9)11(16)15-3-5-17-6-4-15/h8H,3-7H2,1-2H3
InChIKeyYJLGCZUXHMWWEA-UHFFFAOYSA-N
MW304.87 g/mol
LogP3.18
Rot. Bonds3

About [2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone

[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 75489555) has the molecular formula C12H17ClN2OS2 and a molecular weight of 304.87 g/mol. Its IUPAC name is [2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID75489555
Molecular FormulaC12H17ClN2OS2
Molecular Weight304.87 g/mol
Exact Mass304.05
IUPAC Name[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
SMILESCC(C)Cc1sc(Cl)nc1C(=O)N1CCSCC1
InChIInChI=1S/C12H17ClN2OS2/c1-8(2)7-9-10(14-12(13)18-9)11(16)15-3-5-17-6-4-15/h8H,3-7H2,1-2H3
InChIKeyYJLGCZUXHMWWEA-UHFFFAOYSA-N
XLogP3.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.87
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-methyl-5-(2-methylpropyl)-1,3-thiazole
CID 130516681
2-chloro-4-[(3E)-5-methylidenehepta-1,3-dien-3-yl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489590
(5-amino-2-propan-2-ylpyrimidin-4-yl)-thiomorpholin-4-ylmethanone
CID 62155760
4-(2-chloro-5-propan-2-yl-1,3-thiazole-4-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 71703992
(2-phenyl-5-propan-2-yl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone
CID 56819940
2-chloro-5-(2-methylpropyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 75489838
(6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone
CID 103187110
aziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone
CID 130629090
(2-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 2804981
5-(2-methylpropyl)-4-propanoyl-1,3-thiazole-2-carbothioamide
CID 89198094
(5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134014867
2-methyl-3-(methylamino)-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 119761388

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone (CID 75489555) is [2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone is CC(C)Cc1sc(Cl)nc1C(=O)N1CCSCC1.
What is the InChIKey of [2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is YJLGCZUXHMWWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS2/c1-8(2)7-9-10(14-12(13)18-9)11(16)15-3-5-17-6-4-15/h8H,3-7H2,1-2H3.
What are the key properties of [2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone?
[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 304.87 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 75489555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).