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

C11H12N2OS — CID 891102

IUPAC4-methyl-2-[(1,3-thiazol-2-ylamino)methyl]phenol
SMILESCc1ccc(O)c(CNc2nccs2)c1
InChIInChI=1S/C11H12N2OS/c1-8-2-3-10(14)9(6-8)7-13-11-12-4-5-15-11/h2-6,14H,7H2,1H3,(H,12,13)
InChIKeyBJCRDJCAGQQMRU-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.77
Rot. Bonds3

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

4-methyl-2-[(1,3-thiazol-2-ylamino)methyl]phenol (PubChem CID 891102) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 4-methyl-2-[(1,3-thiazol-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[(1,3-thiazol-2-ylamino)methyl]phenol
PubChem CID891102
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name4-methyl-2-[(1,3-thiazol-2-ylamino)methyl]phenol
SMILESCc1ccc(O)c(CNc2nccs2)c1
InChIInChI=1S/C11H12N2OS/c1-8-2-3-10(14)9(6-8)7-13-11-12-4-5-15-11/h2-6,14H,7H2,1H3,(H,12,13)
InChIKeyBJCRDJCAGQQMRU-UHFFFAOYSA-N
XLogP2.77
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.77
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

N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 578640
Alpha-(2-thiazolylamino)-O-cresol
CID 853785
Thiourea, N-(2-(2-hydroxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001170
2-Methoxy-6-(thiazol-2-ylaminomethyl)-phenol
CID 753631
4-Chloro-2-[(1,3-thiazol-2-ylamino)methyl]phenol
CID 2190149
2,4-Dichloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol
CID 950924
Benzamide, 2-hydroxy-N-2-thiazolyl-
CID 578639
2,4-Dibromo-6-[(1,3-thiazol-2-ylamino)methyl]phenol
CID 1887680
4-Bromo-2-[(1,3-thiazol-2-ylamino)methyl]phenol
CID 889301
Thiourea, N-[2-(4-hydroxyphenyl)ethyl]-N'-2-thiazolyl-
CID 3003036
1-Ethyl-1-[1-(3-hydroxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 47363829
1-[(3-Fluoro-phenyl)-(thiazol-2-ylamino)-methyl]-naphthalen-2-ol
CID 155898991

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1,3-thiazol-2-ylamino)methyl]phenol?
The IUPAC name of 4-methyl-2-[(1,3-thiazol-2-ylamino)methyl]phenol (CID 891102) is 4-methyl-2-[(1,3-thiazol-2-ylamino)methyl]phenol.
What is the SMILES notation for 4-methyl-2-[(1,3-thiazol-2-ylamino)methyl]phenol?
The canonical SMILES for 4-methyl-2-[(1,3-thiazol-2-ylamino)methyl]phenol is Cc1ccc(O)c(CNc2nccs2)c1.
What is the InChIKey of 4-methyl-2-[(1,3-thiazol-2-ylamino)methyl]phenol?
The InChIKey is BJCRDJCAGQQMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8-2-3-10(14)9(6-8)7-13-11-12-4-5-15-11/h2-6,14H,7H2,1H3,(H,12,13).
What are the key properties of 4-methyl-2-[(1,3-thiazol-2-ylamino)methyl]phenol?
4-methyl-2-[(1,3-thiazol-2-ylamino)methyl]phenol has a molecular weight of 220.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1,3-thiazol-2-ylamino)methyl]phenol is sourced from PubChem (CID 891102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).