4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-(5-propylpyrimidin-2-yl)-1,3-thiazol-2-amine

C19H23N5OS — CID 46943535

IUPAC4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-(5-propylpyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCCCc1cnc(Nc2nc(C(N)Cc3ccc(OC)cc3)cs2)nc1
InChIInChI=1S/C19H23N5OS/c1-3-4-14-10-21-18(22-11-14)24-19-23-17(12-26-19)16(20)9-13-5-7-15(25-2)8-6-13/h5-8,10-12,16H,3-4,9,20H2,1-2H3,(H,21,22,23,24)
InChIKeyUHTOCWMARZNFMF-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.88
Rot. Bonds8

About 4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-(5-propylpyrimidin-2-yl)-1,3-thiazol-2-amine

4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-(5-propylpyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 46943535) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-(5-propylpyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-(5-propylpyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID46943535
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-(5-propylpyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCCCc1cnc(Nc2nc(C(N)Cc3ccc(OC)cc3)cs2)nc1
InChIInChI=1S/C19H23N5OS/c1-3-4-14-10-21-18(22-11-14)24-19-23-17(12-26-19)16(20)9-13-5-7-15(25-2)8-6-13/h5-8,10-12,16H,3-4,9,20H2,1-2H3,(H,21,22,23,24)
InChIKeyUHTOCWMARZNFMF-UHFFFAOYSA-N
XLogP3.88
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-(5-propylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-(5-propylpyrimidin-2-yl)-1,3-thiazol-2-amine (CID 46943535) is 4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-(5-propylpyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-(5-propylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-(5-propylpyrimidin-2-yl)-1,3-thiazol-2-amine is CCCc1cnc(Nc2nc(C(N)Cc3ccc(OC)cc3)cs2)nc1.
What is the InChIKey of 4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-(5-propylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is UHTOCWMARZNFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-3-4-14-10-21-18(22-11-14)24-19-23-17(12-26-19)16(20)9-13-5-7-15(25-2)8-6-13/h5-8,10-12,16H,3-4,9,20H2,1-2H3,(H,21,22,23,24).
What are the key properties of 4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-(5-propylpyrimidin-2-yl)-1,3-thiazol-2-amine?
4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-(5-propylpyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 369.49 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-(5-propylpyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 46943535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).