4-[3-(4-chlorophenoxy)pyrazin-2-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

C17H15ClN6OS — CID 145104117

IUPAC4-[3-(4-chlorophenoxy)pyrazin-2-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESClc1ccc(Oc2nccnc2-c2csc(NC3=NCCCN3)n2)cc1
InChIInChI=1S/C17H15ClN6OS/c18-11-2-4-12(5-3-11)25-15-14(19-8-9-20-15)13-10-26-17(23-13)24-16-21-6-1-7-22-16/h2-5,8-10H,1,6-7H2,(H2,21,22,23,24)
InChIKeyIDGJAJKXQWTFGS-UHFFFAOYSA-N
MW386.87 g/mol
LogP3.81
Rot. Bonds4

About 4-[3-(4-chlorophenoxy)pyrazin-2-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

4-[3-(4-chlorophenoxy)pyrazin-2-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 145104117) has the molecular formula C17H15ClN6OS and a molecular weight of 386.87 g/mol. Its IUPAC name is 4-[3-(4-chlorophenoxy)pyrazin-2-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(4-chlorophenoxy)pyrazin-2-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID145104117
Molecular FormulaC17H15ClN6OS
Molecular Weight386.87 g/mol
Exact Mass386.07
IUPAC Name4-[3-(4-chlorophenoxy)pyrazin-2-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESClc1ccc(Oc2nccnc2-c2csc(NC3=NCCCN3)n2)cc1
InChIInChI=1S/C17H15ClN6OS/c18-11-2-4-12(5-3-11)25-15-14(19-8-9-20-15)13-10-26-17(23-13)24-16-21-6-1-7-22-16/h2-5,8-10H,1,6-7H2,(H2,21,22,23,24)
InChIKeyIDGJAJKXQWTFGS-UHFFFAOYSA-N
XLogP3.81
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.87
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenoxy)pyrazin-2-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(4-chlorophenoxy)pyrazin-2-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (CID 145104117) is 4-[3-(4-chlorophenoxy)pyrazin-2-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(4-chlorophenoxy)pyrazin-2-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(4-chlorophenoxy)pyrazin-2-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is Clc1ccc(Oc2nccnc2-c2csc(NC3=NCCCN3)n2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenoxy)pyrazin-2-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is IDGJAJKXQWTFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6OS/c18-11-2-4-12(5-3-11)25-15-14(19-8-9-20-15)13-10-26-17(23-13)24-16-21-6-1-7-22-16/h2-5,8-10H,1,6-7H2,(H2,21,22,23,24).
What are the key properties of 4-[3-(4-chlorophenoxy)pyrazin-2-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
4-[3-(4-chlorophenoxy)pyrazin-2-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 386.87 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenoxy)pyrazin-2-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 145104117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).