2-methoxy-6-[(1,3-thiazol-2-ylamino)methyl]phenol

C11H12N2O2S — CID 753631

IUPAC2-methoxy-6-[(1,3-thiazol-2-ylamino)methyl]phenol
SMILESCOc1cccc(CNc2nccs2)c1O
InChIInChI=1S/C11H12N2O2S/c1-15-9-4-2-3-8(10(9)14)7-13-11-12-5-6-16-11/h2-6,14H,7H2,1H3,(H,12,13)
InChIKeyBBCYPLDJAJKESM-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.47
Rot. Bonds4

About 2-methoxy-6-[(1,3-thiazol-2-ylamino)methyl]phenol

2-methoxy-6-[(1,3-thiazol-2-ylamino)methyl]phenol (PubChem CID 753631) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-methoxy-6-[(1,3-thiazol-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(1,3-thiazol-2-ylamino)methyl]phenol
PubChem CID753631
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-methoxy-6-[(1,3-thiazol-2-ylamino)methyl]phenol
SMILESCOc1cccc(CNc2nccs2)c1O
InChIInChI=1S/C11H12N2O2S/c1-15-9-4-2-3-8(10(9)14)7-13-11-12-5-6-16-11/h2-6,14H,7H2,1H3,(H,12,13)
InChIKeyBBCYPLDJAJKESM-UHFFFAOYSA-N
XLogP2.47
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 578640
Alpha-(2-thiazolylamino)-O-cresol
CID 853785
Thiourea, N-(2-(2-methoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001083
Thiourea, N-(2-(2,5-dimethoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001089
Thiourea, N-(2-(3-methoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001165
4-Methyl-2-[(1,3-thiazol-2-ylamino)methyl]phenol
CID 891102
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 1079729
(3,4-Dimethoxy-benzyl)-thiazol-2-yl-amine
CID 592210
N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-2-thiazolamine
CID 2214016
(4-Allyloxy-3-ethoxy-benzyl)-thiazol-2-yl-amine
CID 2214185
N-(2-methoxybenzyl)-N'-(1,3-thiazol-2-yl)ethanediamide
CID 2926552
6-Methoxy-alpha-(2-thiazolylimino)-O-cresol
CID 135804365

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(1,3-thiazol-2-ylamino)methyl]phenol?
The IUPAC name of 2-methoxy-6-[(1,3-thiazol-2-ylamino)methyl]phenol (CID 753631) is 2-methoxy-6-[(1,3-thiazol-2-ylamino)methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(1,3-thiazol-2-ylamino)methyl]phenol?
The canonical SMILES for 2-methoxy-6-[(1,3-thiazol-2-ylamino)methyl]phenol is COc1cccc(CNc2nccs2)c1O.
What is the InChIKey of 2-methoxy-6-[(1,3-thiazol-2-ylamino)methyl]phenol?
The InChIKey is BBCYPLDJAJKESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-15-9-4-2-3-8(10(9)14)7-13-11-12-5-6-16-11/h2-6,14H,7H2,1H3,(H,12,13).
What are the key properties of 2-methoxy-6-[(1,3-thiazol-2-ylamino)methyl]phenol?
2-methoxy-6-[(1,3-thiazol-2-ylamino)methyl]phenol has a molecular weight of 236.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(1,3-thiazol-2-ylamino)methyl]phenol is sourced from PubChem (CID 753631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).