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

C19H16N2OS2 — CID 142621429

IUPAC(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(5-phenylthiophen-2-yl)methanol
SMILESOC(c1ccc(-c2ccccc2)s1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C19H16N2OS2/c22-18(15-9-8-14(23-15)12-4-2-1-3-5-12)17-19(13-6-7-13)24-16-10-20-11-21(16)17/h1-5,8-11,13,18,22H,6-7H2
InChIKeyXZFSBEBCPFOKOB-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.08
Rot. Bonds4

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

(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(5-phenylthiophen-2-yl)methanol (PubChem CID 142621429) has the molecular formula C19H16N2OS2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(5-phenylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(5-phenylthiophen-2-yl)methanol
PubChem CID142621429
Molecular FormulaC19H16N2OS2
Molecular Weight352.48 g/mol
Exact Mass352.07
IUPAC Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(5-phenylthiophen-2-yl)methanol
SMILESOC(c1ccc(-c2ccccc2)s1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C19H16N2OS2/c22-18(15-9-8-14(23-15)12-4-2-1-3-5-12)17-19(13-6-7-13)24-16-10-20-11-21(16)17/h1-5,8-11,13,18,22H,6-7H2
InChIKeyXZFSBEBCPFOKOB-UHFFFAOYSA-N
XLogP5.08
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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US11267824, Example 2
CID 137499593

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(5-phenylthiophen-2-yl)methanol?
The IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(5-phenylthiophen-2-yl)methanol (CID 142621429) is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(5-phenylthiophen-2-yl)methanol.
What is the SMILES notation for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(5-phenylthiophen-2-yl)methanol?
The canonical SMILES for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(5-phenylthiophen-2-yl)methanol is OC(c1ccc(-c2ccccc2)s1)c1c(C2CC2)sc2cncn12.
What is the InChIKey of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(5-phenylthiophen-2-yl)methanol?
The InChIKey is XZFSBEBCPFOKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS2/c22-18(15-9-8-14(23-15)12-4-2-1-3-5-12)17-19(13-6-7-13)24-16-10-20-11-21(16)17/h1-5,8-11,13,18,22H,6-7H2.
What are the key properties of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(5-phenylthiophen-2-yl)methanol?
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(5-phenylthiophen-2-yl)methanol has a molecular weight of 352.48 g/mol, XLogP of 5.08, 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)-(5-phenylthiophen-2-yl)methanol is sourced from PubChem (CID 142621429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).