5-phenyl-N-[6-(piperidin-4-ylmethoxy)pyrimidin-4-yl]-1,3-thiazol-2-amine

C19H21N5OS — CID 10316904

IUPAC5-phenyl-N-[6-(piperidin-4-ylmethoxy)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESc1ccc(-c2cnc(Nc3cc(OCC4CCNCC4)ncn3)s2)cc1
InChIInChI=1S/C19H21N5OS/c1-2-4-15(5-3-1)16-11-21-19(26-16)24-17-10-18(23-13-22-17)25-12-14-6-8-20-9-7-14/h1-5,10-11,13-14,20H,6-9,12H2,(H,21,22,23,24)
InChIKeyQSBMSTSCSFSHFR-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.72
Rot. Bonds6

About 5-phenyl-N-[6-(piperidin-4-ylmethoxy)pyrimidin-4-yl]-1,3-thiazol-2-amine

5-phenyl-N-[6-(piperidin-4-ylmethoxy)pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 10316904) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 5-phenyl-N-[6-(piperidin-4-ylmethoxy)pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-phenyl-N-[6-(piperidin-4-ylmethoxy)pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID10316904
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name5-phenyl-N-[6-(piperidin-4-ylmethoxy)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESc1ccc(-c2cnc(Nc3cc(OCC4CCNCC4)ncn3)s2)cc1
InChIInChI=1S/C19H21N5OS/c1-2-4-15(5-3-1)16-11-21-19(26-16)24-17-10-18(23-13-22-17)25-12-14-6-8-20-9-7-14/h1-5,10-11,13-14,20H,6-9,12H2,(H,21,22,23,24)
InChIKeyQSBMSTSCSFSHFR-UHFFFAOYSA-N
XLogP3.72
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[6-(piperidin-4-ylmethoxy)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-phenyl-N-[6-(piperidin-4-ylmethoxy)pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 10316904) is 5-phenyl-N-[6-(piperidin-4-ylmethoxy)pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-phenyl-N-[6-(piperidin-4-ylmethoxy)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-phenyl-N-[6-(piperidin-4-ylmethoxy)pyrimidin-4-yl]-1,3-thiazol-2-amine is c1ccc(-c2cnc(Nc3cc(OCC4CCNCC4)ncn3)s2)cc1.
What is the InChIKey of 5-phenyl-N-[6-(piperidin-4-ylmethoxy)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is QSBMSTSCSFSHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-2-4-15(5-3-1)16-11-21-19(26-16)24-17-10-18(23-13-22-17)25-12-14-6-8-20-9-7-14/h1-5,10-11,13-14,20H,6-9,12H2,(H,21,22,23,24).
What are the key properties of 5-phenyl-N-[6-(piperidin-4-ylmethoxy)pyrimidin-4-yl]-1,3-thiazol-2-amine?
5-phenyl-N-[6-(piperidin-4-ylmethoxy)pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 367.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[6-(piperidin-4-ylmethoxy)pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 10316904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).