4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol

C10H10N2OS — CID 135741995

IUPAC4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol
SMILESNCc1csc(-c2ccc(O)cc2)n1
InChIInChI=1S/C10H10N2OS/c11-5-8-6-14-10(12-8)7-1-3-9(13)4-2-7/h1-4,6,13H,5,11H2
InChIKeyQVQSIXWDPQPVAO-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.97
Rot. Bonds2

About 4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol

4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol (PubChem CID 135741995) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol
PubChem CID135741995
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol
SMILESNCc1csc(-c2ccc(O)cc2)n1
InChIInChI=1S/C10H10N2OS/c11-5-8-6-14-10(12-8)7-1-3-9(13)4-2-7/h1-4,6,13H,5,11H2
InChIKeyQVQSIXWDPQPVAO-UHFFFAOYSA-N
XLogP1.97
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
4-[4-[2-(methylamino)propyl]-1,3-thiazol-2-yl]phenol
CID 136987769
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257
[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 4-hydroxybenzoate
CID 7866808
4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole
CID 144794797
N-cyclohexyl-2-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 135734499
[2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine
CID 82383295
4-[4-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol
CID 136969519
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol
CID 1473815
O-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]hydroxylamine
CID 39241502
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride
CID 71779216
2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888227

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol?
The IUPAC name of 4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol (CID 135741995) is 4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol is NCc1csc(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol?
The InChIKey is QVQSIXWDPQPVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c11-5-8-6-14-10(12-8)7-1-3-9(13)4-2-7/h1-4,6,13H,5,11H2.
What are the key properties of 4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol?
4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol has a molecular weight of 206.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 135741995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).