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

C16H16N2O2S — CID 137499693

IUPAC(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(C3CC3)sc3cncn23)cc1
InChIInChI=1S/C16H16N2O2S/c1-20-12-6-4-10(5-7-12)15(19)14-16(11-2-3-11)21-13-8-17-9-18(13)14/h4-9,11,15,19H,2-3H2,1H3
InChIKeyXKKDBCYTWILCIQ-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.36
Rot. Bonds4

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

(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methoxyphenyl)methanol (PubChem CID 137499693) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methoxyphenyl)methanol
PubChem CID137499693
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(C3CC3)sc3cncn23)cc1
InChIInChI=1S/C16H16N2O2S/c1-20-12-6-4-10(5-7-12)15(19)14-16(11-2-3-11)21-13-8-17-9-18(13)14/h4-9,11,15,19H,2-3H2,1H3
InChIKeyXKKDBCYTWILCIQ-UHFFFAOYSA-N
XLogP3.36
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US11267824, Example 143
CID 149905450
US11267824, Example 182
CID 150923093
US11267824, Example 163
CID 151030330
US11267824, Example 145
CID 151109135
US11267824, Example 181
CID 152187490
US11267824, Example 144
CID 152242725
US11267824, Example 159
CID 152650725
US11267824, Example 61
CID 137499566
US11267824, Example 52
CID 137499577
US11267824, Example 54
CID 137499621
US11267824, Example 51
CID 137499632
US11267824, Example 59
CID 137499633

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methoxyphenyl)methanol?
The IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methoxyphenyl)methanol (CID 137499693) is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methoxyphenyl)methanol.
What is the SMILES notation for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methoxyphenyl)methanol?
The canonical SMILES for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methoxyphenyl)methanol is COc1ccc(C(O)c2c(C3CC3)sc3cncn23)cc1.
What is the InChIKey of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methoxyphenyl)methanol?
The InChIKey is XKKDBCYTWILCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-20-12-6-4-10(5-7-12)15(19)14-16(11-2-3-11)21-13-8-17-9-18(13)14/h4-9,11,15,19H,2-3H2,1H3.
What are the key properties of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methoxyphenyl)methanol?
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methoxyphenyl)methanol has a molecular weight of 300.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methoxyphenyl)methanol is sourced from PubChem (CID 137499693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).