tris(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)phosphane

C18H15N6PS3 — CID 2999474

IUPACtris(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)phosphane
SMILESCc1nc2sccn2c1P(c1c(C)nc2sccn12)c1c(C)nc2sccn12
InChIInChI=1S/C18H15N6PS3/c1-10-13(22-4-7-26-16(22)19-10)25(14-11(2)20-17-23(14)5-8-27-17)15-12(3)21-18-24(15)6-9-28-18/h4-9H,1-3H3
InChIKeyRQSAPXWAIKMUTP-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.50
Rot. Bonds3

About tris(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)phosphane

tris(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)phosphane (PubChem CID 2999474) has the molecular formula C18H15N6PS3 and a molecular weight of 442.54 g/mol. Its IUPAC name is tris(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)phosphane.

Molecular Properties

Compound Nametris(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)phosphane
PubChem CID2999474
Molecular FormulaC18H15N6PS3
Molecular Weight442.54 g/mol
Exact Mass442.03
IUPAC Nametris(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)phosphane
SMILESCc1nc2sccn2c1P(c1c(C)nc2sccn12)c1c(C)nc2sccn12
InChIInChI=1S/C18H15N6PS3/c1-10-13(22-4-7-26-16(22)19-10)25(14-11(2)20-17-23(14)5-8-27-17)15-12(3)21-18-24(15)6-9-28-18/h4-9H,1-3H3
InChIKeyRQSAPXWAIKMUTP-UHFFFAOYSA-N
XLogP3.50
TPSA51.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-[(1-Methylimidazol-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
CID 3331068
6-Methylimidazo[2,1-b]thiazole 2-amino-1,3-thiazole
CID 86017474
6-methyl-N-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazol-2-amine
CID 91452606
3-Methylimidazo[5,1-b][1,3]thiazole;6-methylimidazo[2,1-b][1,3]thiazole
CID 142243587
3,5-Dimethylimidazo[2,1-b][1,3]thiazole;6-methylimidazo[2,1-b][1,3]thiazole
CID 143754525
3,5-Dimethylimidazo[2,1-b][1,3]thiazole;5,6-dimethylimidazo[2,1-b][1,3]thiazole
CID 143762184
3,5-Dimethylimidazo[2,1-b][1,3]thiazole;5,6-dimethylimidazo[2,1-b][1,3]thiazole;5-methylimidazo[2,1-b][1,3]thiazole
CID 143762185
2,3,6-Trimethyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2,3,6-trimethylimidazo[2,1-b][1,3]thiazole
CID 159398766
5,6-Dimethylimidazo[2,1-b][1,3]thiazole;methane;5-methylimidazo[2,1-b][1,3]thiazole
CID 161664386
2-(Imidazo[2,1-b][1,3]thiazol-6-ylmethoxyselanyloxymethyl)imidazo[2,1-b][1,3]thiazole
CID 329953
6-[[5-(Imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
CID 4475730
1,3-Bis(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)urea
CID 21783582

Frequently Asked Questions

What is the IUPAC name of tris(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)phosphane?
The IUPAC name of tris(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)phosphane (CID 2999474) is tris(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)phosphane.
What is the SMILES notation for tris(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)phosphane?
The canonical SMILES for tris(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)phosphane is Cc1nc2sccn2c1P(c1c(C)nc2sccn12)c1c(C)nc2sccn12.
What is the InChIKey of tris(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)phosphane?
The InChIKey is RQSAPXWAIKMUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N6PS3/c1-10-13(22-4-7-26-16(22)19-10)25(14-11(2)20-17-23(14)5-8-27-17)15-12(3)21-18-24(15)6-9-28-18/h4-9H,1-3H3.
What are the key properties of tris(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)phosphane?
tris(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)phosphane has a molecular weight of 442.54 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)phosphane is sourced from PubChem (CID 2999474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).