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

C17H23N5OS — CID 126887749

IUPACN-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3nc4c(s3)COCC4)CC2)ncn1
InChIInChI=1S/C17H23N5OS/c1-12-8-16(19-11-18-12)20-13-2-5-22(6-3-13)9-17-21-14-4-7-23-10-15(14)24-17/h8,11,13H,2-7,9-10H2,1H3,(H,18,19,20)
InChIKeyHOCIVXQISGWRMA-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.39
Rot. Bonds4

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

N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine (PubChem CID 126887749) has the molecular formula C17H23N5OS and a molecular weight of 345.47 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-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
PubChem CID126887749
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3nc4c(s3)COCC4)CC2)ncn1
InChIInChI=1S/C17H23N5OS/c1-12-8-16(19-11-18-12)20-13-2-5-22(6-3-13)9-17-21-14-4-7-23-10-15(14)24-17/h8,11,13H,2-7,9-10H2,1H3,(H,18,19,20)
InChIKeyHOCIVXQISGWRMA-UHFFFAOYSA-N
XLogP2.39
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-methylpyrimidin-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-methylpyrimidin-4-amine (CID 126887749) is N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-methylpyrimidin-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-methylpyrimidin-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-methylpyrimidin-4-amine is Cc1cc(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-methylpyrimidin-4-amine?
The InChIKey is HOCIVXQISGWRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-12-8-16(19-11-18-12)20-13-2-5-22(6-3-13)9-17-21-14-4-7-23-10-15(14)24-17/h8,11,13H,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-methylpyrimidin-4-amine?
N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine has a molecular weight of 345.47 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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-methylpyrimidin-4-amine is sourced from PubChem (CID 126887749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).