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

C12H14N2OS — CID 82542124

IUPAC4-[5-(1-aminoethyl)-2-methyl-1,3-thiazol-4-yl]phenol
SMILESCc1nc(-c2ccc(O)cc2)c(C(C)N)s1
InChIInChI=1S/C12H14N2OS/c1-7(13)12-11(14-8(2)16-12)9-3-5-10(15)6-4-9/h3-7,15H,13H2,1-2H3
InChIKeyUYIXBBPLEIEXAJ-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.84
Rot. Bonds2

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

4-[5-(1-aminoethyl)-2-methyl-1,3-thiazol-4-yl]phenol (PubChem CID 82542124) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-[5-(1-aminoethyl)-2-methyl-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name4-[5-(1-aminoethyl)-2-methyl-1,3-thiazol-4-yl]phenol
PubChem CID82542124
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name4-[5-(1-aminoethyl)-2-methyl-1,3-thiazol-4-yl]phenol
SMILESCc1nc(-c2ccc(O)cc2)c(C(C)N)s1
InChIInChI=1S/C12H14N2OS/c1-7(13)12-11(14-8(2)16-12)9-3-5-10(15)6-4-9/h3-7,15H,13H2,1-2H3
InChIKeyUYIXBBPLEIEXAJ-UHFFFAOYSA-N
XLogP2.84
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 82542174
4-[5-(1-aminoethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]phenol
CID 82542113
1-[4-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
CID 82541967
4-[bis[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]phenol
CID 162640192
1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 19805509
4-[5-(1-aminoethyl)-2-(methylamino)-1,3-thiazol-4-yl]benzoic acid
CID 82541821
4-[5-(1-aminoethyl)thiophen-2-yl]phenol
CID 82542128
1-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 82542015
1-[4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 82540472
4-(5-propan-2-yl-1,3-thiazol-4-yl)phenol
CID 105474603
1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
CID 82541449
2-methyl-4-[4-(5-phenoxypentoxy)phenyl]-5-propan-2-yl-1,3-thiazole
CID 91079540

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-aminoethyl)-2-methyl-1,3-thiazol-4-yl]phenol?
The IUPAC name of 4-[5-(1-aminoethyl)-2-methyl-1,3-thiazol-4-yl]phenol (CID 82542124) is 4-[5-(1-aminoethyl)-2-methyl-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 4-[5-(1-aminoethyl)-2-methyl-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 4-[5-(1-aminoethyl)-2-methyl-1,3-thiazol-4-yl]phenol is Cc1nc(-c2ccc(O)cc2)c(C(C)N)s1.
What is the InChIKey of 4-[5-(1-aminoethyl)-2-methyl-1,3-thiazol-4-yl]phenol?
The InChIKey is UYIXBBPLEIEXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-7(13)12-11(14-8(2)16-12)9-3-5-10(15)6-4-9/h3-7,15H,13H2,1-2H3.
What are the key properties of 4-[5-(1-aminoethyl)-2-methyl-1,3-thiazol-4-yl]phenol?
4-[5-(1-aminoethyl)-2-methyl-1,3-thiazol-4-yl]phenol has a molecular weight of 234.32 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-aminoethyl)-2-methyl-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 82542124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).