4-[5-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]thiophen-2-yl]benzonitrile

C20H15N3OS2 — CID 142621193

IUPAC4-[5-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]thiophen-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(C(O)c3c(C4CC4)sc4cncn34)s2)cc1
InChIInChI=1S/C20H15N3OS2/c21-9-12-1-3-13(4-2-12)15-7-8-16(25-15)19(24)18-20(14-5-6-14)26-17-10-22-11-23(17)18/h1-4,7-8,10-11,14,19,24H,5-6H2
InChIKeyUPLIKNPALFZFCI-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.96
Rot. Bonds4

About 4-[5-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]thiophen-2-yl]benzonitrile

4-[5-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]thiophen-2-yl]benzonitrile (PubChem CID 142621193) has the molecular formula C20H15N3OS2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[5-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]thiophen-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]thiophen-2-yl]benzonitrile
PubChem CID142621193
Molecular FormulaC20H15N3OS2
Molecular Weight377.49 g/mol
Exact Mass377.07
IUPAC Name4-[5-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]thiophen-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(C(O)c3c(C4CC4)sc4cncn34)s2)cc1
InChIInChI=1S/C20H15N3OS2/c21-9-12-1-3-13(4-2-12)15-7-8-16(25-15)19(24)18-20(14-5-6-14)26-17-10-22-11-23(17)18/h1-4,7-8,10-11,14,19,24H,5-6H2
InChIKeyUPLIKNPALFZFCI-UHFFFAOYSA-N
XLogP4.96
TPSA61.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]thiophen-2-yl]benzonitrile with MolForge

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Related Compounds

(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-thiophen-2-ylmethanol
CID 150552671
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-methylphenyl)methanol
CID 137499577
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methoxyphenyl)methanol
CID 137499693
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-methoxyphenyl)triazol-4-yl]methanol
CID 142621420
2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]pyrazol-1-yl]phenyl]acetamide
CID 155315194
4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzonitrile
CID 134381052
2-[2-[2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol
CID 142621184
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazol-4-yl]methanol
CID 142621387
4-[5-[5-[5-[5-[5-(4-cyanophenyl)thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-2-yl]thiophen-2-yl]benzonitrile
CID 170275781
4-(5-cyclopropyl-2-pyridinyl)benzonitrile
CID 138566548
tert-butyl N-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-4-yl]phenyl]carbamate
CID 142621237
4-[hydroxy(1,3-thiazol-5-yl)methyl]benzonitrile
CID 18949024

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]thiophen-2-yl]benzonitrile?
The IUPAC name of 4-[5-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]thiophen-2-yl]benzonitrile (CID 142621193) is 4-[5-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]thiophen-2-yl]benzonitrile.
What is the SMILES notation for 4-[5-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]thiophen-2-yl]benzonitrile?
The canonical SMILES for 4-[5-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]thiophen-2-yl]benzonitrile is N#Cc1ccc(-c2ccc(C(O)c3c(C4CC4)sc4cncn34)s2)cc1.
What is the InChIKey of 4-[5-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]thiophen-2-yl]benzonitrile?
The InChIKey is UPLIKNPALFZFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS2/c21-9-12-1-3-13(4-2-12)15-7-8-16(25-15)19(24)18-20(14-5-6-14)26-17-10-22-11-23(17)18/h1-4,7-8,10-11,14,19,24H,5-6H2.
What are the key properties of 4-[5-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]thiophen-2-yl]benzonitrile?
4-[5-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]thiophen-2-yl]benzonitrile has a molecular weight of 377.49 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]thiophen-2-yl]benzonitrile is sourced from PubChem (CID 142621193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).