(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methylphenyl)methanol

C16H16N2OS — CID 137499632

IUPAC(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2c(C3CC3)sc3cncn23)cc1
InChIInChI=1S/C16H16N2OS/c1-10-2-4-11(5-3-10)15(19)14-16(12-6-7-12)20-13-8-17-9-18(13)14/h2-5,8-9,12,15,19H,6-7H2,1H3
InChIKeySGUTXNFDGJFXFV-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.66
Rot. Bonds3

About (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methylphenyl)methanol

(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methylphenyl)methanol (PubChem CID 137499632) 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)-(4-methylphenyl)methanol.

Molecular Properties

Compound Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methylphenyl)methanol
PubChem CID137499632
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2c(C3CC3)sc3cncn23)cc1
InChIInChI=1S/C16H16N2OS/c1-10-2-4-11(5-3-10)15(19)14-16(12-6-7-12)20-13-8-17-9-18(13)14/h2-5,8-9,12,15,19H,6-7H2,1H3
InChIKeySGUTXNFDGJFXFV-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

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US11267824, Example 143
CID 149905450
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CID 151030330
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CID 151109135
US11267824, Example 81
CID 151320595
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CID 152045876
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US11267824, Example 144
CID 152242725

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methylphenyl)methanol?
The IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methylphenyl)methanol (CID 137499632) is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methylphenyl)methanol.
What is the SMILES notation for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methylphenyl)methanol?
The canonical SMILES for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methylphenyl)methanol is Cc1ccc(C(O)c2c(C3CC3)sc3cncn23)cc1.
What is the InChIKey of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methylphenyl)methanol?
The InChIKey is SGUTXNFDGJFXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-10-2-4-11(5-3-10)15(19)14-16(12-6-7-12)20-13-8-17-9-18(13)14/h2-5,8-9,12,15,19H,6-7H2,1H3.
What are the key properties of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methylphenyl)methanol?
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-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)-(4-methylphenyl)methanol is sourced from PubChem (CID 137499632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).