N-[1-(1-phenylethyl)piperidin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C18H21N5S — CID 167893642

IUPACN-[1-(1-phenylethyl)piperidin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCC(c1ccccc1)N1CCC(Nc2ncnc3scnc23)CC1
InChIInChI=1S/C18H21N5S/c1-13(14-5-3-2-4-6-14)23-9-7-15(8-10-23)22-17-16-18(20-11-19-17)24-12-21-16/h2-6,11-13,15H,7-10H2,1H3,(H,19,20,22)
InChIKeyCMEJSCYVINSFCT-UHFFFAOYSA-N
MW339.47 g/mol
LogP3.72
Rot. Bonds4

About N-[1-(1-phenylethyl)piperidin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

N-[1-(1-phenylethyl)piperidin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 167893642) has the molecular formula C18H21N5S and a molecular weight of 339.47 g/mol. Its IUPAC name is N-[1-(1-phenylethyl)piperidin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[1-(1-phenylethyl)piperidin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID167893642
Molecular FormulaC18H21N5S
Molecular Weight339.47 g/mol
Exact Mass339.15
IUPAC NameN-[1-(1-phenylethyl)piperidin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCC(c1ccccc1)N1CCC(Nc2ncnc3scnc23)CC1
InChIInChI=1S/C18H21N5S/c1-13(14-5-3-2-4-6-14)23-9-7-15(8-10-23)22-17-16-18(20-11-19-17)24-12-21-16/h2-6,11-13,15H,7-10H2,1H3,(H,19,20,22)
InChIKeyCMEJSCYVINSFCT-UHFFFAOYSA-N
XLogP3.72
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(1-phenylethyl)piperidin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine with MolForge

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Related Compounds

N-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 130698432
8-methoxy-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]quinazolin-4-amine
CID 166259030
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
1-(1-phenylethyl)piperidin-4-amine
CID 12641844
(3S)-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-amine
CID 95598751
N-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 22182426
3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
CID 120503779
4-[1-(1-phenylethyl)piperidin-4-yl]thiomorpholine
CID 171335572
5-fluoro-2-[1-(1-phenylethyl)piperidin-4-yl]oxypyrimidine
CID 139028947
N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane
CID 90925941
6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine
CID 154735994
(3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 98177963

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-phenylethyl)piperidin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-[1-(1-phenylethyl)piperidin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 167893642) is N-[1-(1-phenylethyl)piperidin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-[1-(1-phenylethyl)piperidin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-[1-(1-phenylethyl)piperidin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is CC(c1ccccc1)N1CCC(Nc2ncnc3scnc23)CC1.
What is the InChIKey of N-[1-(1-phenylethyl)piperidin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is CMEJSCYVINSFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5S/c1-13(14-5-3-2-4-6-14)23-9-7-15(8-10-23)22-17-16-18(20-11-19-17)24-12-21-16/h2-6,11-13,15H,7-10H2,1H3,(H,19,20,22).
What are the key properties of N-[1-(1-phenylethyl)piperidin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
N-[1-(1-phenylethyl)piperidin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 339.47 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-phenylethyl)piperidin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 167893642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).