5-(2-chloropyrimidin-4-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine

C20H15ClN4OS — CID 58236707

IUPAC5-(2-chloropyrimidin-4-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccc(OCc3ccccc3)c2)c(-c2ccnc(Cl)n2)s1
InChIInChI=1S/C20H15ClN4OS/c21-19-23-10-9-16(24-19)18-17(25-20(22)27-18)14-7-4-8-15(11-14)26-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,22,25)
InChIKeyCEUNPMGPLRWVTM-UHFFFAOYSA-N
MW394.89 g/mol
LogP5.08
Rot. Bonds5

About 5-(2-chloropyrimidin-4-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine

5-(2-chloropyrimidin-4-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 58236707) has the molecular formula C20H15ClN4OS and a molecular weight of 394.89 g/mol. Its IUPAC name is 5-(2-chloropyrimidin-4-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloropyrimidin-4-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID58236707
Molecular FormulaC20H15ClN4OS
Molecular Weight394.89 g/mol
Exact Mass394.07
IUPAC Name5-(2-chloropyrimidin-4-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccc(OCc3ccccc3)c2)c(-c2ccnc(Cl)n2)s1
InChIInChI=1S/C20H15ClN4OS/c21-19-23-10-9-16(24-19)18-17(25-20(22)27-18)14-7-4-8-15(11-14)26-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,22,25)
InChIKeyCEUNPMGPLRWVTM-UHFFFAOYSA-N
XLogP5.08
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.89
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloropyrimidin-4-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-chloropyrimidin-4-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine (CID 58236707) is 5-(2-chloropyrimidin-4-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-chloropyrimidin-4-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-chloropyrimidin-4-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine is Nc1nc(-c2cccc(OCc3ccccc3)c2)c(-c2ccnc(Cl)n2)s1.
What is the InChIKey of 5-(2-chloropyrimidin-4-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is CEUNPMGPLRWVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4OS/c21-19-23-10-9-16(24-19)18-17(25-20(22)27-18)14-7-4-8-15(11-14)26-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,22,25).
What are the key properties of 5-(2-chloropyrimidin-4-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
5-(2-chloropyrimidin-4-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 394.89 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloropyrimidin-4-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58236707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).