3-(4-chloro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C16H15ClN2S2 — CID 22474057

IUPAC3-(4-chloro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCCC1=C(c2cc3c(Cl)cccc3s2)N2CCN=C2S1
InChIInChI=1S/C16H15ClN2S2/c1-2-4-13-15(19-8-7-18-16(19)21-13)14-9-10-11(17)5-3-6-12(10)20-14/h3,5-6,9H,2,4,7-8H2,1H3
InChIKeyGRMWUCMQDVAVOO-UHFFFAOYSA-N
MW334.90 g/mol
LogP5.44
Rot. Bonds3

About 3-(4-chloro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

3-(4-chloro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 22474057) has the molecular formula C16H15ClN2S2 and a molecular weight of 334.90 g/mol. Its IUPAC name is 3-(4-chloro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(4-chloro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID22474057
Molecular FormulaC16H15ClN2S2
Molecular Weight334.90 g/mol
Exact Mass334.04
IUPAC Name3-(4-chloro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCCC1=C(c2cc3c(Cl)cccc3s2)N2CCN=C2S1
InChIInChI=1S/C16H15ClN2S2/c1-2-4-13-15(19-8-7-18-16(19)21-13)14-9-10-11(17)5-3-6-12(10)20-14/h3,5-6,9H,2,4,7-8H2,1H3
InChIKeyGRMWUCMQDVAVOO-UHFFFAOYSA-N
XLogP5.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.90
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(4-chloro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 22474057) is 3-(4-chloro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(4-chloro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(4-chloro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CCCC1=C(c2cc3c(Cl)cccc3s2)N2CCN=C2S1.
What is the InChIKey of 3-(4-chloro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is GRMWUCMQDVAVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S2/c1-2-4-13-15(19-8-7-18-16(19)21-13)14-9-10-11(17)5-3-6-12(10)20-14/h3,5-6,9H,2,4,7-8H2,1H3.
What are the key properties of 3-(4-chloro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(4-chloro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 334.90 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 22474057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).