N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine

C11H12N2OS — CID 578640

IUPACN-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nccs2)cc1
InChIInChI=1S/C11H12N2OS/c1-14-10-4-2-9(3-5-10)8-13-11-12-6-7-15-11/h2-7H,8H2,1H3,(H,12,13)
InChIKeyYEBFQWDWWRXAOH-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.76
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine

N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 578640) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID578640
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameN-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nccs2)cc1
InChIInChI=1S/C11H12N2OS/c1-14-10-4-2-9(3-5-10)8-13-11-12-6-7-15-11/h2-7H,8H2,1H3,(H,12,13)
InChIKeyYEBFQWDWWRXAOH-UHFFFAOYSA-N
XLogP2.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

AR-A014418
CID 448014
Alpha-(2-thiazolylamino)-O-cresol
CID 853785
Thiourea, N-(2-(2,6-dimethoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001088
Thiourea, N-(2-(2,5-dimethoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001089
Thiourea, N-(2-(2-fluoro-6-methoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001091
Thiourea, N-(2-(2-ethoxy-6-fluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001092
Thiourea, N-(2-(3-methoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001165
1-[2-(4-Methoxyphenyl)ethyl]-3-thiazol-2-yl-thiourea
CID 3001166
Thiourea, N-(2-(3-ethoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001172
Zolamine
CID 14387
5-[(4-Methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 3133052
Thiourea, N-(2-(3-propoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001084

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine (CID 578640) is N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine is COc1ccc(CNc2nccs2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is YEBFQWDWWRXAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-14-10-4-2-9(3-5-10)8-13-11-12-6-7-15-11/h2-7H,8H2,1H3,(H,12,13).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 220.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 578640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).