(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methanol;(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methyl acetate

C14H18N4O7S2 — CID 70151670

IUPAC(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methanol;(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methyl acetate
SMILESCC(=O)OCc1cn2c(n1)S(=O)(=O)CC2.O=S1(=O)CCn2cc(CO)nc21
InChIInChI=1S/C8H10N2O4S.C6H8N2O3S/c1-6(11)14-5-7-4-10-2-3-15(12,13)8(10)9-7;9-4-5-3-8-1-2-12(10,11)6(8)7-5/h4H,2-3,5H2,1H3;3,9H,1-2,4H2
InChIKeyPMPNDISSEUYGKH-UHFFFAOYSA-N
MW418.45 g/mol
LogP-1.10
Rot. Bonds3

About (1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methanol;(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methyl acetate

(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methanol;(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methyl acetate (PubChem CID 70151670) has the molecular formula C14H18N4O7S2 and a molecular weight of 418.45 g/mol. Its IUPAC name is (1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methanol;(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methyl acetate.

Molecular Properties

Compound Name(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methanol;(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methyl acetate
PubChem CID70151670
Molecular FormulaC14H18N4O7S2
Molecular Weight418.45 g/mol
Exact Mass418.06
IUPAC Name(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methanol;(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methyl acetate
SMILESCC(=O)OCc1cn2c(n1)S(=O)(=O)CC2.O=S1(=O)CCn2cc(CO)nc21
InChIInChI=1S/C8H10N2O4S.C6H8N2O3S/c1-6(11)14-5-7-4-10-2-3-15(12,13)8(10)9-7;9-4-5-3-8-1-2-12(10,11)6(8)7-5/h4H,2-3,5H2,1H3;3,9H,1-2,4H2
InChIKeyPMPNDISSEUYGKH-UHFFFAOYSA-N
XLogP-1.10
TPSA150.45 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.45
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze (1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methanol;(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methyl acetate with MolForge

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Related Compounds

[5-(hydroxymethyl)pyrazin-2-yl]methyl acetate
CID 59478480
(1-methyltriazol-4-yl)methyl acetate
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(6-methyl-2-pyridinyl)methanol;(6-methyl-2-pyridinyl)methyl acetate
CID 67488057
[1-(4-methoxyphenyl)triazol-4-yl]methyl acetate
CID 11413946
[9-(acetyloxymethyl)-1,10-phenanthrolin-2-yl]methyl acetate
CID 10969381
1,3-thiazol-4-ylmethyl acetate
CID 45117618
[3,5,7-tris(acetyloxymethyl)cycloocta-1,3,5,7-tetraen-1-yl]methyl acetate
CID 73449970
[1-[(E)-1-chlorobut-3-ynylideneamino]-2-methylimidazol-4-yl]methyl acetate
CID 138739511
[5-hydroxy-2-(hydroxymethyl)-4,6-dimethyl-3-pyridinyl]methyl acetate
CID 155490226
ethyl 5-[4-(acetyloxymethyl)triazol-1-yl]pentanoate
CID 71503779
[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methyl acetate
CID 13229295
1-[1-butan-2-yl-4-(hydroxymethyl)imidazol-2-yl]ethanone
CID 89262306

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methanol;(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methyl acetate?
The IUPAC name of (1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methanol;(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methyl acetate (CID 70151670) is (1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methanol;(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methyl acetate.
What is the SMILES notation for (1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methanol;(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methyl acetate?
The canonical SMILES for (1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methanol;(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methyl acetate is CC(=O)OCc1cn2c(n1)S(=O)(=O)CC2.O=S1(=O)CCn2cc(CO)nc21.
What is the InChIKey of (1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methanol;(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methyl acetate?
The InChIKey is PMPNDISSEUYGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S.C6H8N2O3S/c1-6(11)14-5-7-4-10-2-3-15(12,13)8(10)9-7;9-4-5-3-8-1-2-12(10,11)6(8)7-5/h4H,2-3,5H2,1H3;3,9H,1-2,4H2.
What are the key properties of (1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methanol;(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methyl acetate?
(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methanol;(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methyl acetate has a molecular weight of 418.45 g/mol, XLogP of -1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methanol;(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methyl acetate is sourced from PubChem (CID 70151670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).