4-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]phenol

C18H18N4OS — CID 75405830

IUPAC4-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]phenol
SMILESOc1ccc(C2CCCN2Cc2csc(-c3ncccn3)n2)cc1
InChIInChI=1S/C18H18N4OS/c23-15-6-4-13(5-7-15)16-3-1-10-22(16)11-14-12-24-18(21-14)17-19-8-2-9-20-17/h2,4-9,12,16,23H,1,3,10-11H2
InChIKeyFQSZNLKNNDSLFN-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.64
Rot. Bonds4

About 4-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]phenol

4-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]phenol (PubChem CID 75405830) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 4-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name4-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]phenol
PubChem CID75405830
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name4-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]phenol
SMILESOc1ccc(C2CCCN2Cc2csc(-c3ncccn3)n2)cc1
InChIInChI=1S/C18H18N4OS/c23-15-6-4-13(5-7-15)16-3-1-10-22(16)11-14-12-24-18(21-14)17-19-8-2-9-20-17/h2,4-9,12,16,23H,1,3,10-11H2
InChIKeyFQSZNLKNNDSLFN-UHFFFAOYSA-N
XLogP3.64
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]phenol?
The IUPAC name of 4-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]phenol (CID 75405830) is 4-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]phenol.
What is the SMILES notation for 4-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]phenol?
The canonical SMILES for 4-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]phenol is Oc1ccc(C2CCCN2Cc2csc(-c3ncccn3)n2)cc1.
What is the InChIKey of 4-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]phenol?
The InChIKey is FQSZNLKNNDSLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c23-15-6-4-13(5-7-15)16-3-1-10-22(16)11-14-12-24-18(21-14)17-19-8-2-9-20-17/h2,4-9,12,16,23H,1,3,10-11H2.
What are the key properties of 4-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]phenol?
4-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]phenol has a molecular weight of 338.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]phenol is sourced from PubChem (CID 75405830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).