5-(2-chloropyrimidin-4-yl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine

C17H17ClN4O2S — CID 86656306

IUPAC5-(2-chloropyrimidin-4-yl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2cccc(OC)c2)c(-c2ccnc(Cl)n2)s1
InChIInChI=1S/C17H17ClN4O2S/c1-23-9-8-20-17-22-14(11-4-3-5-12(10-11)24-2)15(25-17)13-6-7-19-16(18)21-13/h3-7,10H,8-9H2,1-2H3,(H,20,22)
InChIKeyQJURDXAEJUXETI-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.99
Rot. Bonds7

About 5-(2-chloropyrimidin-4-yl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine

5-(2-chloropyrimidin-4-yl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 86656306) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is 5-(2-chloropyrimidin-4-yl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloropyrimidin-4-yl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID86656306
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC Name5-(2-chloropyrimidin-4-yl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2cccc(OC)c2)c(-c2ccnc(Cl)n2)s1
InChIInChI=1S/C17H17ClN4O2S/c1-23-9-8-20-17-22-14(11-4-3-5-12(10-11)24-2)15(25-17)13-6-7-19-16(18)21-13/h3-7,10H,8-9H2,1-2H3,(H,20,22)
InChIKeyQJURDXAEJUXETI-UHFFFAOYSA-N
XLogP3.99
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloropyrimidin-4-yl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-chloropyrimidin-4-yl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine (CID 86656306) is 5-(2-chloropyrimidin-4-yl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-chloropyrimidin-4-yl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-chloropyrimidin-4-yl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine is COCCNc1nc(-c2cccc(OC)c2)c(-c2ccnc(Cl)n2)s1.
What is the InChIKey of 5-(2-chloropyrimidin-4-yl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is QJURDXAEJUXETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S/c1-23-9-8-20-17-22-14(11-4-3-5-12(10-11)24-2)15(25-17)13-6-7-19-16(18)21-13/h3-7,10H,8-9H2,1-2H3,(H,20,22).
What are the key properties of 5-(2-chloropyrimidin-4-yl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine?
5-(2-chloropyrimidin-4-yl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 376.87 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloropyrimidin-4-yl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 86656306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).