(4,5-dichloro-1-methylimidazol-2-yl)-morpholin-4-ylmethanethione

C9H11Cl2N3OS — CID 14666373

IUPAC(4,5-dichloro-1-methylimidazol-2-yl)-morpholin-4-ylmethanethione
SMILESCn1c(C(=S)N2CCOCC2)nc(Cl)c1Cl
InChIInChI=1S/C9H11Cl2N3OS/c1-13-7(11)6(10)12-8(13)9(16)14-2-4-15-5-3-14/h2-5H2,1H3
InChIKeyHIQKUARMCGEMHL-UHFFFAOYSA-N
MW280.18 g/mol
LogP1.73
Rot. Bonds1

About (4,5-dichloro-1-methylimidazol-2-yl)-morpholin-4-ylmethanethione

(4,5-dichloro-1-methylimidazol-2-yl)-morpholin-4-ylmethanethione (PubChem CID 14666373) has the molecular formula C9H11Cl2N3OS and a molecular weight of 280.18 g/mol. Its IUPAC name is (4,5-dichloro-1-methylimidazol-2-yl)-morpholin-4-ylmethanethione.

Molecular Properties

Compound Name(4,5-dichloro-1-methylimidazol-2-yl)-morpholin-4-ylmethanethione
PubChem CID14666373
Molecular FormulaC9H11Cl2N3OS
Molecular Weight280.18 g/mol
Exact Mass279.00
IUPAC Name(4,5-dichloro-1-methylimidazol-2-yl)-morpholin-4-ylmethanethione
SMILESCn1c(C(=S)N2CCOCC2)nc(Cl)c1Cl
InChIInChI=1S/C9H11Cl2N3OS/c1-13-7(11)6(10)12-8(13)9(16)14-2-4-15-5-3-14/h2-5H2,1H3
InChIKeyHIQKUARMCGEMHL-UHFFFAOYSA-N
XLogP1.73
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromo-2,4-dichloro-3-pyridinyl)morpholine-4-carbothioamide
CID 175147681
morpholin-4-yl-(1,2,5-trimethylpyrrol-3-yl)methanethione
CID 798135
ethane;1-morpholin-4-ylethanethione
CID 142226083
1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbodithioic acid
CID 11187568
CID 177489628
CID 177489628
methyl morpholine-4-carbodithioate
CID 5043631
(5-chloro-2-hydroxyphenyl)-morpholin-4-ylmethanethione
CID 135635018
(3,5-dichloro-2-methoxyphenyl)-morpholin-4-ylmethanethione
CID 3274273
(4-hydroxy-3,5-diiodophenyl)-morpholin-4-ylmethanethione
CID 137172624
4-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)morpholine
CID 102286122
(5-chloro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone
CID 169156885
3,3-dimethyl-1-morpholin-4-yl-1-sulfanylidenebutan-2-one
CID 130450263

Frequently Asked Questions

What is the IUPAC name of (4,5-dichloro-1-methylimidazol-2-yl)-morpholin-4-ylmethanethione?
The IUPAC name of (4,5-dichloro-1-methylimidazol-2-yl)-morpholin-4-ylmethanethione (CID 14666373) is (4,5-dichloro-1-methylimidazol-2-yl)-morpholin-4-ylmethanethione.
What is the SMILES notation for (4,5-dichloro-1-methylimidazol-2-yl)-morpholin-4-ylmethanethione?
The canonical SMILES for (4,5-dichloro-1-methylimidazol-2-yl)-morpholin-4-ylmethanethione is Cn1c(C(=S)N2CCOCC2)nc(Cl)c1Cl.
What is the InChIKey of (4,5-dichloro-1-methylimidazol-2-yl)-morpholin-4-ylmethanethione?
The InChIKey is HIQKUARMCGEMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3OS/c1-13-7(11)6(10)12-8(13)9(16)14-2-4-15-5-3-14/h2-5H2,1H3.
What are the key properties of (4,5-dichloro-1-methylimidazol-2-yl)-morpholin-4-ylmethanethione?
(4,5-dichloro-1-methylimidazol-2-yl)-morpholin-4-ylmethanethione has a molecular weight of 280.18 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichloro-1-methylimidazol-2-yl)-morpholin-4-ylmethanethione is sourced from PubChem (CID 14666373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).