3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-ol

C14H16N2OS — CID 79820158

IUPAC3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-ol
SMILESOC1(Cc2nc(-c3ccccc3)cs2)CCNC1
InChIInChI=1S/C14H16N2OS/c17-14(6-7-15-10-14)8-13-16-12(9-18-13)11-4-2-1-3-5-11/h1-5,9,15,17H,6-8,10H2
InChIKeyNHAMTBHZJFBDGW-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.08
Rot. Bonds3

About 3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-ol

3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-ol (PubChem CID 79820158) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-ol
PubChem CID79820158
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-ol
SMILESOC1(Cc2nc(-c3ccccc3)cs2)CCNC1
InChIInChI=1S/C14H16N2OS/c17-14(6-7-15-10-14)8-13-16-12(9-18-13)11-4-2-1-3-5-11/h1-5,9,15,17H,6-8,10H2
InChIKeyNHAMTBHZJFBDGW-UHFFFAOYSA-N
XLogP2.08
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-ol (CID 79820158) is 3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-ol is OC1(Cc2nc(-c3ccccc3)cs2)CCNC1.
What is the InChIKey of 3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-ol?
The InChIKey is NHAMTBHZJFBDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c17-14(6-7-15-10-14)8-13-16-12(9-18-13)11-4-2-1-3-5-11/h1-5,9,15,17H,6-8,10H2.
What are the key properties of 3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-ol?
3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-ol has a molecular weight of 260.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 79820158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).