N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine

C17H23N5O2S — CID 126888177

IUPACN-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCN(Cc3nc4c(s3)COCC4)CC2)ncn1
InChIInChI=1S/C17H23N5O2S/c1-23-16-8-15(18-11-19-16)20-12-2-5-22(6-3-12)9-17-21-13-4-7-24-10-14(13)25-17/h8,11-12H,2-7,9-10H2,1H3,(H,18,19,20)
InChIKeyGEPFHCFHEYCEFT-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.09
Rot. Bonds5

About N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine

N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine (PubChem CID 126888177) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
PubChem CID126888177
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC NameN-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCN(Cc3nc4c(s3)COCC4)CC2)ncn1
InChIInChI=1S/C17H23N5O2S/c1-23-16-8-15(18-11-19-16)20-12-2-5-22(6-3-12)9-17-21-13-4-7-24-10-14(13)25-17/h8,11-12H,2-7,9-10H2,1H3,(H,18,19,20)
InChIKeyGEPFHCFHEYCEFT-UHFFFAOYSA-N
XLogP2.09
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine (CID 126888177) is N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine is COc1cc(NC2CCN(Cc3nc4c(s3)COCC4)CC2)ncn1.
What is the InChIKey of N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The InChIKey is GEPFHCFHEYCEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-23-16-8-15(18-11-19-16)20-12-2-5-22(6-3-12)9-17-21-13-4-7-24-10-14(13)25-17/h8,11-12H,2-7,9-10H2,1H3,(H,18,19,20).
What are the key properties of N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine?
N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine has a molecular weight of 361.47 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 126888177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).