4-[[5-(2-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methoxyphenyl]sulfonylmethyl]cyclohexan-1-ol

C24H32N2O4S2 — CID 167559465

IUPAC4-[[5-(2-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methoxyphenyl]sulfonylmethyl]cyclohexan-1-ol
SMILESCOc1ccc(-c2c(C)nc3sc(C(C)(C)C)cn23)cc1S(=O)(=O)CC1CCC(O)CC1
InChIInChI=1S/C24H32N2O4S2/c1-15-22(26-13-21(24(2,3)4)31-23(26)25-15)17-8-11-19(30-5)20(12-17)32(28,29)14-16-6-9-18(27)10-7-16/h8,11-13,16,18,27H,6-7,9-10,14H2,1-5H3
InChIKeyDLMPFSRLEDSWKW-UHFFFAOYSA-N
MW476.66 g/mol
LogP5.00
Rot. Bonds5

About 4-[[5-(2-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methoxyphenyl]sulfonylmethyl]cyclohexan-1-ol

4-[[5-(2-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methoxyphenyl]sulfonylmethyl]cyclohexan-1-ol (PubChem CID 167559465) has the molecular formula C24H32N2O4S2 and a molecular weight of 476.66 g/mol. Its IUPAC name is 4-[[5-(2-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methoxyphenyl]sulfonylmethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-(2-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methoxyphenyl]sulfonylmethyl]cyclohexan-1-ol
PubChem CID167559465
Molecular FormulaC24H32N2O4S2
Molecular Weight476.66 g/mol
Exact Mass476.18
IUPAC Name4-[[5-(2-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methoxyphenyl]sulfonylmethyl]cyclohexan-1-ol
SMILESCOc1ccc(-c2c(C)nc3sc(C(C)(C)C)cn23)cc1S(=O)(=O)CC1CCC(O)CC1
InChIInChI=1S/C24H32N2O4S2/c1-15-22(26-13-21(24(2,3)4)31-23(26)25-15)17-8-11-19(30-5)20(12-17)32(28,29)14-16-6-9-18(27)10-7-16/h8,11-13,16,18,27H,6-7,9-10,14H2,1-5H3
InChIKeyDLMPFSRLEDSWKW-UHFFFAOYSA-N
XLogP5.00
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.66
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methoxyphenyl]sulfonylmethyl]cyclohexan-1-ol?
The IUPAC name of 4-[[5-(2-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methoxyphenyl]sulfonylmethyl]cyclohexan-1-ol (CID 167559465) is 4-[[5-(2-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methoxyphenyl]sulfonylmethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-(2-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methoxyphenyl]sulfonylmethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-(2-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methoxyphenyl]sulfonylmethyl]cyclohexan-1-ol is COc1ccc(-c2c(C)nc3sc(C(C)(C)C)cn23)cc1S(=O)(=O)CC1CCC(O)CC1.
What is the InChIKey of 4-[[5-(2-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methoxyphenyl]sulfonylmethyl]cyclohexan-1-ol?
The InChIKey is DLMPFSRLEDSWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S2/c1-15-22(26-13-21(24(2,3)4)31-23(26)25-15)17-8-11-19(30-5)20(12-17)32(28,29)14-16-6-9-18(27)10-7-16/h8,11-13,16,18,27H,6-7,9-10,14H2,1-5H3.
What are the key properties of 4-[[5-(2-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methoxyphenyl]sulfonylmethyl]cyclohexan-1-ol?
4-[[5-(2-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methoxyphenyl]sulfonylmethyl]cyclohexan-1-ol has a molecular weight of 476.66 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methoxyphenyl]sulfonylmethyl]cyclohexan-1-ol is sourced from PubChem (CID 167559465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).