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

C17H18N2OS — CID 137499621

IUPAC(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-ethylphenyl)methanol
SMILESCCc1cccc(C(O)c2c(C3CC3)sc3cncn23)c1
InChIInChI=1S/C17H18N2OS/c1-2-11-4-3-5-13(8-11)16(20)15-17(12-6-7-12)21-14-9-18-10-19(14)15/h3-5,8-10,12,16,20H,2,6-7H2,1H3
InChIKeyBXYVAMGVOUNHJX-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.92
Rot. Bonds4

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

(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-ethylphenyl)methanol (PubChem CID 137499621) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-ethylphenyl)methanol.

Molecular Properties

Compound Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-ethylphenyl)methanol
PubChem CID137499621
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-ethylphenyl)methanol
SMILESCCc1cccc(C(O)c2c(C3CC3)sc3cncn23)c1
InChIInChI=1S/C17H18N2OS/c1-2-11-4-3-5-13(8-11)16(20)15-17(12-6-7-12)21-14-9-18-10-19(14)15/h3-5,8-10,12,16,20H,2,6-7H2,1H3
InChIKeyBXYVAMGVOUNHJX-UHFFFAOYSA-N
XLogP3.92
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-ethylphenyl)methanol?
The IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-ethylphenyl)methanol (CID 137499621) is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-ethylphenyl)methanol.
What is the SMILES notation for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-ethylphenyl)methanol?
The canonical SMILES for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-ethylphenyl)methanol is CCc1cccc(C(O)c2c(C3CC3)sc3cncn23)c1.
What is the InChIKey of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-ethylphenyl)methanol?
The InChIKey is BXYVAMGVOUNHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-2-11-4-3-5-13(8-11)16(20)15-17(12-6-7-12)21-14-9-18-10-19(14)15/h3-5,8-10,12,16,20H,2,6-7H2,1H3.
What are the key properties of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-ethylphenyl)methanol?
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-ethylphenyl)methanol has a molecular weight of 298.41 g/mol, XLogP of 3.92, 4 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-ethylphenyl)methanol is sourced from PubChem (CID 137499621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).