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

C16H21N5O2S — CID 126888257

IUPACN-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCN(c3nc4c(s3)COCC4)CC2)ncn1
InChIInChI=1S/C16H21N5O2S/c1-22-15-8-14(17-10-18-15)19-11-2-5-21(6-3-11)16-20-12-4-7-23-9-13(12)24-16/h8,10-11H,2-7,9H2,1H3,(H,17,18,19)
InChIKeyMKWZKQJUIOHTOO-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.10
Rot. Bonds4

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

N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine (PubChem CID 126888257) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
PubChem CID126888257
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCN(c3nc4c(s3)COCC4)CC2)ncn1
InChIInChI=1S/C16H21N5O2S/c1-22-15-8-14(17-10-18-15)19-11-2-5-21(6-3-11)16-20-12-4-7-23-9-13(12)24-16/h8,10-11H,2-7,9H2,1H3,(H,17,18,19)
InChIKeyMKWZKQJUIOHTOO-UHFFFAOYSA-N
XLogP2.10
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propan-2-ylpyrimidin-4-amine
CID 172438709
6-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-amine
CID 50963601
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
1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[3-[(2-methylpropan-2-yl)oxy]propyl]urea
CID 58440793
1-[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea
CID 58440828
1-cyclohexyl-3-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 58440875
1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-oxo-3-piperidin-1-ylpropyl)urea
CID 58441166
1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea
CID 58441186
N-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 58441208
5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 87159150
6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-4-amine
CID 50954199

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)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-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine (CID 126888257) is N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)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-yl)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-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine is COc1cc(NC2CCN(c3nc4c(s3)COCC4)CC2)ncn1.
What is the InChIKey of N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The InChIKey is MKWZKQJUIOHTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-22-15-8-14(17-10-18-15)19-11-2-5-21(6-3-11)16-20-12-4-7-23-9-13(12)24-16/h8,10-11H,2-7,9H2,1H3,(H,17,18,19).
What are the key properties of N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine?
N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine has a molecular weight of 347.44 g/mol, XLogP of 2.10, 4 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-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 126888257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).