N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-(4-methylphenyl)-1,3-thiazol-2-amine

C17H19N5OS — CID 155589663

IUPACN-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2cnc(Nc3cc(OCCN)nc(C)n3)s2)cc1
InChIInChI=1S/C17H19N5OS/c1-11-3-5-13(6-4-11)14-10-19-17(24-14)22-15-9-16(23-8-7-18)21-12(2)20-15/h3-6,9-10H,7-8,18H2,1-2H3,(H,19,20,21,22)
InChIKeyQSFYURQDXLMFJA-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.30
Rot. Bonds6

About N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-(4-methylphenyl)-1,3-thiazol-2-amine

N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 155589663) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID155589663
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2cnc(Nc3cc(OCCN)nc(C)n3)s2)cc1
InChIInChI=1S/C17H19N5OS/c1-11-3-5-13(6-4-11)14-10-19-17(24-14)22-15-9-16(23-8-7-18)21-12(2)20-15/h3-6,9-10H,7-8,18H2,1-2H3,(H,19,20,21,22)
InChIKeyQSFYURQDXLMFJA-UHFFFAOYSA-N
XLogP3.30
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-(4-methylphenyl)-1,3-thiazol-2-amine (CID 155589663) is N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-(4-methylphenyl)-1,3-thiazol-2-amine is Cc1ccc(-c2cnc(Nc3cc(OCCN)nc(C)n3)s2)cc1.
What is the InChIKey of N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is QSFYURQDXLMFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-11-3-5-13(6-4-11)14-10-19-17(24-14)22-15-9-16(23-8-7-18)21-12(2)20-15/h3-6,9-10H,7-8,18H2,1-2H3,(H,19,20,21,22).
What are the key properties of N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-(4-methylphenyl)-1,3-thiazol-2-amine?
N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 341.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 155589663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).