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

C16H16N2OS — CID 137499577

IUPAC(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2c(C3CC3)sc3cncn23)c1
InChIInChI=1S/C16H16N2OS/c1-10-3-2-4-12(7-10)15(19)14-16(11-5-6-11)20-13-8-17-9-18(13)14/h2-4,7-9,11,15,19H,5-6H2,1H3
InChIKeyOXWXOHJHIBLLPA-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.66
Rot. Bonds3

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

(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-methylphenyl)methanol (PubChem CID 137499577) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-methylphenyl)methanol.

Molecular Properties

Compound Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-methylphenyl)methanol
PubChem CID137499577
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2c(C3CC3)sc3cncn23)c1
InChIInChI=1S/C16H16N2OS/c1-10-3-2-4-12(7-10)15(19)14-16(11-5-6-11)20-13-8-17-9-18(13)14/h2-4,7-9,11,15,19H,5-6H2,1H3
InChIKeyOXWXOHJHIBLLPA-UHFFFAOYSA-N
XLogP3.66
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methoxyphenyl)methanol
CID 137499693
3-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-5-methylphenol
CID 142621330
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-methoxyphenyl)triazol-4-yl]methanol
CID 142621420
3-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)butan-1-ol
CID 137499630
5-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 142621246
(2S)-2-(4-tert-butylcyclohexyl)-2-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol
CID 166769475
[1-(4-bromo-3-chloro-2-pyridinyl)triazol-4-yl]-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)methanol
CID 142621319
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-ethyl-1-(4-methoxyphenyl)triazol-4-yl]methanol
CID 142621199
2-cyclopentyl-1-(2-methylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol
CID 150328803
1-[2-chloro-4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]phenoxy]-2-methylpropan-2-ol
CID 155315149
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazol-4-yl]methanol
CID 142621387
[6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol
CID 175901613

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-methylphenyl)methanol?
The IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-methylphenyl)methanol (CID 137499577) is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-methylphenyl)methanol.
What is the SMILES notation for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-methylphenyl)methanol?
The canonical SMILES for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-methylphenyl)methanol is Cc1cccc(C(O)c2c(C3CC3)sc3cncn23)c1.
What is the InChIKey of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-methylphenyl)methanol?
The InChIKey is OXWXOHJHIBLLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-10-3-2-4-12(7-10)15(19)14-16(11-5-6-11)20-13-8-17-9-18(13)14/h2-4,7-9,11,15,19H,5-6H2,1H3.
What are the key properties of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-methylphenyl)methanol?
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-methylphenyl)methanol has a molecular weight of 284.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-methylphenyl)methanol is sourced from PubChem (CID 137499577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).