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

C17H25N5OS — CID 146104287

IUPAC1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]piperidin-4-amine
SMILESCOc1nscc1C(C)NC1CCN(c2cc(C)nc(C)n2)CC1
InChIInChI=1S/C17H25N5OS/c1-11-9-16(20-13(3)18-11)22-7-5-14(6-8-22)19-12(2)15-10-24-21-17(15)23-4/h9-10,12,14,19H,5-8H2,1-4H3
InChIKeyNKBNUKCENJIJLN-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.88
Rot. Bonds5

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

1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]piperidin-4-amine (PubChem CID 146104287) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]piperidin-4-amine
PubChem CID146104287
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]piperidin-4-amine
SMILESCOc1nscc1C(C)NC1CCN(c2cc(C)nc(C)n2)CC1
InChIInChI=1S/C17H25N5OS/c1-11-9-16(20-13(3)18-11)22-7-5-14(6-8-22)19-12(2)15-10-24-21-17(15)23-4/h9-10,12,14,19H,5-8H2,1-4H3
InChIKeyNKBNUKCENJIJLN-UHFFFAOYSA-N
XLogP2.88
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]piperidin-4-amine (CID 146104287) is 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]piperidin-4-amine is COc1nscc1C(C)NC1CCN(c2cc(C)nc(C)n2)CC1.
What is the InChIKey of 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]piperidin-4-amine?
The InChIKey is NKBNUKCENJIJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-11-9-16(20-13(3)18-11)22-7-5-14(6-8-22)19-12(2)15-10-24-21-17(15)23-4/h9-10,12,14,19H,5-8H2,1-4H3.
What are the key properties of 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]piperidin-4-amine?
1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]piperidin-4-amine has a molecular weight of 347.49 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 146104287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).