3-[5-[(cyclopropylamino)methyl]-4-methyl-1,3-thiazol-2-yl]phenol

C14H16N2OS — CID 114016134

IUPAC3-[5-[(cyclopropylamino)methyl]-4-methyl-1,3-thiazol-2-yl]phenol
SMILESCc1nc(-c2cccc(O)c2)sc1CNC1CC1
InChIInChI=1S/C14H16N2OS/c1-9-13(8-15-11-5-6-11)18-14(16-9)10-3-2-4-12(17)7-10/h2-4,7,11,15,17H,5-6,8H2,1H3
InChIKeyFCOSDQOVVGRKNR-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.08
Rot. Bonds4

About 3-[5-[(cyclopropylamino)methyl]-4-methyl-1,3-thiazol-2-yl]phenol

3-[5-[(cyclopropylamino)methyl]-4-methyl-1,3-thiazol-2-yl]phenol (PubChem CID 114016134) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-[5-[(cyclopropylamino)methyl]-4-methyl-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name3-[5-[(cyclopropylamino)methyl]-4-methyl-1,3-thiazol-2-yl]phenol
PubChem CID114016134
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name3-[5-[(cyclopropylamino)methyl]-4-methyl-1,3-thiazol-2-yl]phenol
SMILESCc1nc(-c2cccc(O)c2)sc1CNC1CC1
InChIInChI=1S/C14H16N2OS/c1-9-13(8-15-11-5-6-11)18-14(16-9)10-3-2-4-12(17)7-10/h2-4,7,11,15,17H,5-6,8H2,1H3
InChIKeyFCOSDQOVVGRKNR-UHFFFAOYSA-N
XLogP3.08
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(cyclopropylamino)methyl]-4-methyl-1,3-thiazol-2-yl]phenol?
The IUPAC name of 3-[5-[(cyclopropylamino)methyl]-4-methyl-1,3-thiazol-2-yl]phenol (CID 114016134) is 3-[5-[(cyclopropylamino)methyl]-4-methyl-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 3-[5-[(cyclopropylamino)methyl]-4-methyl-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 3-[5-[(cyclopropylamino)methyl]-4-methyl-1,3-thiazol-2-yl]phenol is Cc1nc(-c2cccc(O)c2)sc1CNC1CC1.
What is the InChIKey of 3-[5-[(cyclopropylamino)methyl]-4-methyl-1,3-thiazol-2-yl]phenol?
The InChIKey is FCOSDQOVVGRKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9-13(8-15-11-5-6-11)18-14(16-9)10-3-2-4-12(17)7-10/h2-4,7,11,15,17H,5-6,8H2,1H3.
What are the key properties of 3-[5-[(cyclopropylamino)methyl]-4-methyl-1,3-thiazol-2-yl]phenol?
3-[5-[(cyclopropylamino)methyl]-4-methyl-1,3-thiazol-2-yl]phenol has a molecular weight of 260.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(cyclopropylamino)methyl]-4-methyl-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 114016134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).