(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-(2-methoxyphenyl)thiophen-2-yl]methanol

C20H18N2O2S2 — CID 142621209

IUPAC(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-(2-methoxyphenyl)thiophen-2-yl]methanol
SMILESCOc1ccccc1-c1ccc(C(O)c2c(C3CC3)sc3cncn23)s1
InChIInChI=1S/C20H18N2O2S2/c1-24-14-5-3-2-4-13(14)15-8-9-16(25-15)19(23)18-20(12-6-7-12)26-17-10-21-11-22(17)18/h2-5,8-12,19,23H,6-7H2,1H3
InChIKeyVPTKQOMWDZZMAO-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.09
Rot. Bonds5

About (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-(2-methoxyphenyl)thiophen-2-yl]methanol

(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-(2-methoxyphenyl)thiophen-2-yl]methanol (PubChem CID 142621209) has the molecular formula C20H18N2O2S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-(2-methoxyphenyl)thiophen-2-yl]methanol.

Molecular Properties

Compound Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-(2-methoxyphenyl)thiophen-2-yl]methanol
PubChem CID142621209
Molecular FormulaC20H18N2O2S2
Molecular Weight382.51 g/mol
Exact Mass382.08
IUPAC Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-(2-methoxyphenyl)thiophen-2-yl]methanol
SMILESCOc1ccccc1-c1ccc(C(O)c2c(C3CC3)sc3cncn23)s1
InChIInChI=1S/C20H18N2O2S2/c1-24-14-5-3-2-4-13(14)15-8-9-16(25-15)19(23)18-20(12-6-7-12)26-17-10-21-11-22(17)18/h2-5,8-12,19,23H,6-7H2,1H3
InChIKeyVPTKQOMWDZZMAO-UHFFFAOYSA-N
XLogP5.09
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(5-phenylthiophen-2-yl)methanol
CID 142621429
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methoxyphenyl)methanol
CID 137499693
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-methylphenyl)methanol
CID 137499577
(S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-phenylcyclohexyl)methanol
CID 137499636
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-methoxyphenyl)triazol-4-yl]methanol
CID 142621420
1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(3,3-difluorocyclohexyl)ethanol
CID 151502298
5-(2-methoxyphenyl)-2-(1-methylazetidin-3-yl)-1,3-thiazole
CID 166936018
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazol-4-yl]methanol
CID 142621387
(1S)-2-cyclohexyl-1-(2-methylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol
CID 137499623
(1S)-2-cyclohexyl-1-(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol
CID 137499587
methyl 5-[1-[5-(2-methoxyphenyl)thiophen-2-yl]ethylcarbamoyl]thiophene-2-carboxylate
CID 69292192
3-(2-methoxyphenyl)pyridine
CID 4133297

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-(2-methoxyphenyl)thiophen-2-yl]methanol?
The IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-(2-methoxyphenyl)thiophen-2-yl]methanol (CID 142621209) is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-(2-methoxyphenyl)thiophen-2-yl]methanol.
What is the SMILES notation for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-(2-methoxyphenyl)thiophen-2-yl]methanol?
The canonical SMILES for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-(2-methoxyphenyl)thiophen-2-yl]methanol is COc1ccccc1-c1ccc(C(O)c2c(C3CC3)sc3cncn23)s1.
What is the InChIKey of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-(2-methoxyphenyl)thiophen-2-yl]methanol?
The InChIKey is VPTKQOMWDZZMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S2/c1-24-14-5-3-2-4-13(14)15-8-9-16(25-15)19(23)18-20(12-6-7-12)26-17-10-21-11-22(17)18/h2-5,8-12,19,23H,6-7H2,1H3.
What are the key properties of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-(2-methoxyphenyl)thiophen-2-yl]methanol?
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-(2-methoxyphenyl)thiophen-2-yl]methanol has a molecular weight of 382.51 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-(2-methoxyphenyl)thiophen-2-yl]methanol is sourced from PubChem (CID 142621209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).