4-chloro-2-[(1,3-thiazol-2-ylamino)methyl]phenol

C10H9ClN2OS — CID 2190149

IUPAC4-chloro-2-[(1,3-thiazol-2-ylamino)methyl]phenol
SMILESOc1ccc(Cl)cc1CNc1nccs1
InChIInChI=1S/C10H9ClN2OS/c11-8-1-2-9(14)7(5-8)6-13-10-12-3-4-15-10/h1-5,14H,6H2,(H,12,13)
InChIKeyVRAFXDUKQJVTEL-UHFFFAOYSA-N
MW240.72 g/mol
LogP3.11
Rot. Bonds3

About 4-chloro-2-[(1,3-thiazol-2-ylamino)methyl]phenol

4-chloro-2-[(1,3-thiazol-2-ylamino)methyl]phenol (PubChem CID 2190149) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 4-chloro-2-[(1,3-thiazol-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(1,3-thiazol-2-ylamino)methyl]phenol
PubChem CID2190149
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name4-chloro-2-[(1,3-thiazol-2-ylamino)methyl]phenol
SMILESOc1ccc(Cl)cc1CNc1nccs1
InChIInChI=1S/C10H9ClN2OS/c11-8-1-2-9(14)7(5-8)6-13-10-12-3-4-15-10/h1-5,14H,6H2,(H,12,13)
InChIKeyVRAFXDUKQJVTEL-UHFFFAOYSA-N
XLogP3.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Alpha-(2-thiazolylamino)-O-cresol
CID 853785
Thiourea, N-(2-(2-hydroxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001170
4-Methyl-2-[(1,3-thiazol-2-ylamino)methyl]phenol
CID 891102
2,4-Dichloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol
CID 950924
4-((5-Chloro-2-hydroxybenzyl)amino)-N-(thiazol-2-yl)benzenesulfonamide
CID 1079726
4-Bromo-2-[(1,3-thiazol-2-ylamino)methyl]phenol
CID 889301
5-chloro-2-hydroxy-N-(thiazol-2-yl)benzamide
CID 18103922
4-Chloro-2-[(1,3-thiazol-2-ylimino)methyl]phenol
CID 135449186
4-Chloro-2-(1,3-thiazol-2-yliminomethyl)phenol
CID 779705
(1R)-1-(5-chloro-2-methoxyphenyl)-2-(1,3-thiazol-2-ylamino)ethanol
CID 164630511
2-[[[5-(Trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]phenol
CID 123355498
Thiazolylazomethylphenol
CID 129888793

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(1,3-thiazol-2-ylamino)methyl]phenol?
The IUPAC name of 4-chloro-2-[(1,3-thiazol-2-ylamino)methyl]phenol (CID 2190149) is 4-chloro-2-[(1,3-thiazol-2-ylamino)methyl]phenol.
What is the SMILES notation for 4-chloro-2-[(1,3-thiazol-2-ylamino)methyl]phenol?
The canonical SMILES for 4-chloro-2-[(1,3-thiazol-2-ylamino)methyl]phenol is Oc1ccc(Cl)cc1CNc1nccs1.
What is the InChIKey of 4-chloro-2-[(1,3-thiazol-2-ylamino)methyl]phenol?
The InChIKey is VRAFXDUKQJVTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c11-8-1-2-9(14)7(5-8)6-13-10-12-3-4-15-10/h1-5,14H,6H2,(H,12,13).
What are the key properties of 4-chloro-2-[(1,3-thiazol-2-ylamino)methyl]phenol?
4-chloro-2-[(1,3-thiazol-2-ylamino)methyl]phenol has a molecular weight of 240.72 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(1,3-thiazol-2-ylamino)methyl]phenol is sourced from PubChem (CID 2190149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).