4-(1-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine

C11H15N5O2S — CID 46942738

IUPAC4-(1-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCOc1cc(OC)nc(Nc2nc(C(C)N)cs2)n1
InChIInChI=1S/C11H15N5O2S/c1-6(12)7-5-19-11(13-7)16-10-14-8(17-2)4-9(15-10)18-3/h4-6H,12H2,1-3H3,(H,13,14,15,16)
InChIKeyKLMKUEBOIJHHSU-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.71
Rot. Bonds5

About 4-(1-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine

4-(1-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 46942738) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID46942738
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name4-(1-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCOc1cc(OC)nc(Nc2nc(C(C)N)cs2)n1
InChIInChI=1S/C11H15N5O2S/c1-6(12)7-5-19-11(13-7)16-10-14-8(17-2)4-9(15-10)18-3/h4-6H,12H2,1-3H3,(H,13,14,15,16)
InChIKeyKLMKUEBOIJHHSU-UHFFFAOYSA-N
XLogP1.71
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine (CID 46942738) is 4-(1-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine is COc1cc(OC)nc(Nc2nc(C(C)N)cs2)n1.
What is the InChIKey of 4-(1-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is KLMKUEBOIJHHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-6(12)7-5-19-11(13-7)16-10-14-8(17-2)4-9(15-10)18-3/h4-6H,12H2,1-3H3,(H,13,14,15,16).
What are the key properties of 4-(1-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
4-(1-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 281.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 46942738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).