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

C17H23N5OS — CID 126889004

IUPACN-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N-methylpyrimidin-4-amine
SMILESCN(c1ccncn1)C1CCN(Cc2nc3c(s2)COCC3)CC1
InChIInChI=1S/C17H23N5OS/c1-21(16-2-6-18-12-19-16)13-3-7-22(8-4-13)10-17-20-14-5-9-23-11-15(14)24-17/h2,6,12-13H,3-5,7-11H2,1H3
InChIKeyXVMZLQGVOLZQOX-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.11
Rot. Bonds4

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

N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N-methylpyrimidin-4-amine (PubChem CID 126889004) 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]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N-methylpyrimidin-4-amine
PubChem CID126889004
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]-N-methylpyrimidin-4-amine
SMILESCN(c1ccncn1)C1CCN(Cc2nc3c(s2)COCC3)CC1
InChIInChI=1S/C17H23N5OS/c1-21(16-2-6-18-12-19-16)13-3-7-22(8-4-13)10-17-20-14-5-9-23-11-15(14)24-17/h2,6,12-13H,3-5,7-11H2,1H3
InChIKeyXVMZLQGVOLZQOX-UHFFFAOYSA-N
XLogP2.11
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889774
N-(1-{4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889855
N-cyclopropyl-N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890945
5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine
CID 63020369
N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887325
N-(1-{4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}piperidin-4-yl)pyrimidin-4-amine
CID 126887409
6-methyl-N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887749
6-methyl-N-(1-{4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}piperidin-4-yl)pyrimidin-4-amine
CID 126887833
6-methoxy-N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]pyrimidin-4-amine
CID 126888177
6-methoxy-N-(1-{4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}piperidin-4-yl)pyrimidin-4-amine
CID 126888257
N4,N4-dimethyl-N6-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888592
N4,N4-dimethyl-N6-(1-{4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}piperidin-4-yl)pyrimidine-4,6-diamine
CID 126888675

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]-N-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]-N-methylpyrimidin-4-amine (CID 126889004) is N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N-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]-N-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]-N-methylpyrimidin-4-amine is CN(c1ccncn1)C1CCN(Cc2nc3c(s2)COCC3)CC1.
What is the InChIKey of N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N-methylpyrimidin-4-amine?
The InChIKey is XVMZLQGVOLZQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-21(16-2-6-18-12-19-16)13-3-7-22(8-4-13)10-17-20-14-5-9-23-11-15(14)24-17/h2,6,12-13H,3-5,7-11H2,1H3.
What are the key properties of N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N-methylpyrimidin-4-amine?
N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N-methylpyrimidin-4-amine has a molecular weight of 345.47 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 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]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 126889004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).