3-(4-chloro-1-benzothiophen-2-yl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine

C14H11ClN2S2 — CID 10178316

IUPAC3-(4-chloro-1-benzothiophen-2-yl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESClc1cccc2sc(C3=CSC4=NCCCN34)cc12
InChIInChI=1S/C14H11ClN2S2/c15-10-3-1-4-12-9(10)7-13(19-12)11-8-18-14-16-5-2-6-17(11)14/h1,3-4,7-8H,2,5-6H2
InChIKeyMAGWKUKZBILVDI-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.66
Rot. Bonds1

About 3-(4-chloro-1-benzothiophen-2-yl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine

3-(4-chloro-1-benzothiophen-2-yl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine (PubChem CID 10178316) has the molecular formula C14H11ClN2S2 and a molecular weight of 306.84 g/mol. Its IUPAC name is 3-(4-chloro-1-benzothiophen-2-yl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine.

Molecular Properties

Compound Name3-(4-chloro-1-benzothiophen-2-yl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
PubChem CID10178316
Molecular FormulaC14H11ClN2S2
Molecular Weight306.84 g/mol
Exact Mass306.01
IUPAC Name3-(4-chloro-1-benzothiophen-2-yl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESClc1cccc2sc(C3=CSC4=NCCCN34)cc12
InChIInChI=1S/C14H11ClN2S2/c15-10-3-1-4-12-9(10)7-13(19-12)11-8-18-14-16-5-2-6-17(11)14/h1,3-4,7-8H,2,5-6H2
InChIKeyMAGWKUKZBILVDI-UHFFFAOYSA-N
XLogP4.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.66
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)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The IUPAC name of 3-(4-chloro-1-benzothiophen-2-yl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine (CID 10178316) is 3-(4-chloro-1-benzothiophen-2-yl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine.
What is the SMILES notation for 3-(4-chloro-1-benzothiophen-2-yl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The canonical SMILES for 3-(4-chloro-1-benzothiophen-2-yl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine is Clc1cccc2sc(C3=CSC4=NCCCN34)cc12.
What is the InChIKey of 3-(4-chloro-1-benzothiophen-2-yl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The InChIKey is MAGWKUKZBILVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S2/c15-10-3-1-4-12-9(10)7-13(19-12)11-8-18-14-16-5-2-6-17(11)14/h1,3-4,7-8H,2,5-6H2.
What are the key properties of 3-(4-chloro-1-benzothiophen-2-yl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
3-(4-chloro-1-benzothiophen-2-yl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine has a molecular weight of 306.84 g/mol, XLogP of 4.66, 1 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)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine is sourced from PubChem (CID 10178316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).