4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine

C17H18ClN5S — CID 46948249

IUPAC4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCc1cc(C)nc(Nc2nc(C(N)Cc3ccc(Cl)cc3)cs2)n1
InChIInChI=1S/C17H18ClN5S/c1-10-7-11(2)21-16(20-10)23-17-22-15(9-24-17)14(19)8-12-3-5-13(18)6-4-12/h3-7,9,14H,8,19H2,1-2H3,(H,20,21,22,23)
InChIKeyPJGBSUTYVWCCIU-UHFFFAOYSA-N
MW359.89 g/mol
LogP4.19
Rot. Bonds5

About 4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine

4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 46948249) has the molecular formula C17H18ClN5S and a molecular weight of 359.89 g/mol. Its IUPAC name is 4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID46948249
Molecular FormulaC17H18ClN5S
Molecular Weight359.89 g/mol
Exact Mass359.10
IUPAC Name4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCc1cc(C)nc(Nc2nc(C(N)Cc3ccc(Cl)cc3)cs2)n1
InChIInChI=1S/C17H18ClN5S/c1-10-7-11(2)21-16(20-10)23-17-22-15(9-24-17)14(19)8-12-3-5-13(18)6-4-12/h3-7,9,14H,8,19H2,1-2H3,(H,20,21,22,23)
InChIKeyPJGBSUTYVWCCIU-UHFFFAOYSA-N
XLogP4.19
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.89
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine (CID 46948249) is 4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine is Cc1cc(C)nc(Nc2nc(C(N)Cc3ccc(Cl)cc3)cs2)n1.
What is the InChIKey of 4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is PJGBSUTYVWCCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5S/c1-10-7-11(2)21-16(20-10)23-17-22-15(9-24-17)14(19)8-12-3-5-13(18)6-4-12/h3-7,9,14H,8,19H2,1-2H3,(H,20,21,22,23).
What are the key properties of 4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine?
4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 359.89 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 46948249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).