3-[amino(1,3-thiazol-2-yl)methyl]phenol

C10H10N2OS — CID 115024716

IUPAC3-[amino(1,3-thiazol-2-yl)methyl]phenol
SMILESNC(c1cccc(O)c1)c1nccs1
InChIInChI=1S/C10H10N2OS/c11-9(10-12-4-5-14-10)7-2-1-3-8(13)6-7/h1-6,9,13H,11H2
InChIKeyKJKSERMHJRHSBJ-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.90
Rot. Bonds2

About 3-[amino(1,3-thiazol-2-yl)methyl]phenol

3-[amino(1,3-thiazol-2-yl)methyl]phenol (PubChem CID 115024716) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-[amino(1,3-thiazol-2-yl)methyl]phenol.

Molecular Properties

Compound Name3-[amino(1,3-thiazol-2-yl)methyl]phenol
PubChem CID115024716
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name3-[amino(1,3-thiazol-2-yl)methyl]phenol
SMILESNC(c1cccc(O)c1)c1nccs1
InChIInChI=1S/C10H10N2OS/c11-9(10-12-4-5-14-10)7-2-1-3-8(13)6-7/h1-6,9,13H,11H2
InChIKeyKJKSERMHJRHSBJ-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
CID 62499480
3-[(S)-amino(thiophen-2-yl)methyl]phenol
CID 130870806
quinolin-6-yl(1,3-thiazol-2-yl)methanamine
CID 63970380
(3-chloro-4-methylphenyl)-(1,3-thiazol-2-yl)methanamine
CID 106818042
1,3-thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine
CID 63077873
3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171218066
3-[(S)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171198549
(R)-phenyl(1,3-thiazol-2-yl)methanol
CID 10511917
hydroxysulfanyl(1,3-thiazol-2-yl)methanamine
CID 143542329
(5-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methanamine
CID 61347211
4-[2-amino-1-(1,3-thiazol-2-yl)ethyl]phenol
CID 115032136
(4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
CID 62496797

Frequently Asked Questions

What is the IUPAC name of 3-[amino(1,3-thiazol-2-yl)methyl]phenol?
The IUPAC name of 3-[amino(1,3-thiazol-2-yl)methyl]phenol (CID 115024716) is 3-[amino(1,3-thiazol-2-yl)methyl]phenol.
What is the SMILES notation for 3-[amino(1,3-thiazol-2-yl)methyl]phenol?
The canonical SMILES for 3-[amino(1,3-thiazol-2-yl)methyl]phenol is NC(c1cccc(O)c1)c1nccs1.
What is the InChIKey of 3-[amino(1,3-thiazol-2-yl)methyl]phenol?
The InChIKey is KJKSERMHJRHSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c11-9(10-12-4-5-14-10)7-2-1-3-8(13)6-7/h1-6,9,13H,11H2.
What are the key properties of 3-[amino(1,3-thiazol-2-yl)methyl]phenol?
3-[amino(1,3-thiazol-2-yl)methyl]phenol has a molecular weight of 206.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(1,3-thiazol-2-yl)methyl]phenol is sourced from PubChem (CID 115024716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).