3-(4-chlorophenyl)-2-ethyl-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide

C14H18BrClN2OS — CID 45049566

IUPAC3-(4-chlorophenyl)-2-ethyl-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide
SMILESBr.CCC1SC2=NCCCN2C1(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2OS.BrH/c1-2-12-14(18,10-4-6-11(15)7-5-10)17-9-3-8-16-13(17)19-12;/h4-7,12,18H,2-3,8-9H2,1H3;1H
InChIKeyMAGGATIDVVMDRH-UHFFFAOYSA-N
MW377.74 g/mol
LogP3.65
Rot. Bonds2

About 3-(4-chlorophenyl)-2-ethyl-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide

3-(4-chlorophenyl)-2-ethyl-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide (PubChem CID 45049566) has the molecular formula C14H18BrClN2OS and a molecular weight of 377.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-ethyl-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-ethyl-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide
PubChem CID45049566
Molecular FormulaC14H18BrClN2OS
Molecular Weight377.74 g/mol
Exact Mass376.00
IUPAC Name3-(4-chlorophenyl)-2-ethyl-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide
SMILESBr.CCC1SC2=NCCCN2C1(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2OS.BrH/c1-2-12-14(18,10-4-6-11(15)7-5-10)17-9-3-8-16-13(17)19-12;/h4-7,12,18H,2-3,8-9H2,1H3;1H
InChIKeyMAGGATIDVVMDRH-UHFFFAOYSA-N
XLogP3.65
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.74
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-ethyl-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide?
The IUPAC name of 3-(4-chlorophenyl)-2-ethyl-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide (CID 45049566) is 3-(4-chlorophenyl)-2-ethyl-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide.
What is the SMILES notation for 3-(4-chlorophenyl)-2-ethyl-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide?
The canonical SMILES for 3-(4-chlorophenyl)-2-ethyl-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide is Br.CCC1SC2=NCCCN2C1(O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-ethyl-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide?
The InChIKey is MAGGATIDVVMDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS.BrH/c1-2-12-14(18,10-4-6-11(15)7-5-10)17-9-3-8-16-13(17)19-12;/h4-7,12,18H,2-3,8-9H2,1H3;1H.
What are the key properties of 3-(4-chlorophenyl)-2-ethyl-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide?
3-(4-chlorophenyl)-2-ethyl-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide has a molecular weight of 377.74 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-ethyl-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide is sourced from PubChem (CID 45049566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).