3-[5-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]phenol

C12H14N2OS — CID 115091792

IUPAC3-[5-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]phenol
SMILESCNCCc1cnc(-c2cccc(O)c2)s1
InChIInChI=1S/C12H14N2OS/c1-13-6-5-11-8-14-12(16-11)9-3-2-4-10(15)7-9/h2-4,7-8,13,15H,5-6H2,1H3
InChIKeyDQRDHUZPEXPVST-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.28
Rot. Bonds4

About 3-[5-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]phenol

3-[5-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]phenol (PubChem CID 115091792) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-[5-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name3-[5-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]phenol
PubChem CID115091792
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name3-[5-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]phenol
SMILESCNCCc1cnc(-c2cccc(O)c2)s1
InChIInChI=1S/C12H14N2OS/c1-13-6-5-11-8-14-12(16-11)9-3-2-4-10(15)7-9/h2-4,7-8,13,15H,5-6H2,1H3
InChIKeyDQRDHUZPEXPVST-UHFFFAOYSA-N
XLogP2.28
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 61282920
1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 61280554
N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61280364
2-methoxy-5-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 61280570
3-[5-(5-methyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]phenol
CID 102707160
N-[[2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82422567
3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol
CID 117231253
2-[2-(difluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84772384
1-[2-(6-methoxynaphthalen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 61280182
3-[2-(3-bromophenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82308929
N-methyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115091957
(2R)-2-[[2-(3-chlorophenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
CID 166242585

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]phenol?
The IUPAC name of 3-[5-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]phenol (CID 115091792) is 3-[5-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 3-[5-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 3-[5-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]phenol is CNCCc1cnc(-c2cccc(O)c2)s1.
What is the InChIKey of 3-[5-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]phenol?
The InChIKey is DQRDHUZPEXPVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-13-6-5-11-8-14-12(16-11)9-3-2-4-10(15)7-9/h2-4,7-8,13,15H,5-6H2,1H3.
What are the key properties of 3-[5-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]phenol?
3-[5-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]phenol has a molecular weight of 234.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 115091792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).