5-(1-aminoethyl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine

C13H17N3OS — CID 82542023

IUPAC5-(1-aminoethyl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccccc2OC)c(C(C)N)s1
InChIInChI=1S/C13H17N3OS/c1-8(14)12-11(16-13(15-2)18-12)9-6-4-5-7-10(9)17-3/h4-8H,14H2,1-3H3,(H,15,16)
InChIKeyOFGDUSVUEHNHIS-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.88
Rot. Bonds4

About 5-(1-aminoethyl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine

5-(1-aminoethyl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 82542023) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-(1-aminoethyl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID82542023
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-(1-aminoethyl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccccc2OC)c(C(C)N)s1
InChIInChI=1S/C13H17N3OS/c1-8(14)12-11(16-13(15-2)18-12)9-6-4-5-7-10(9)17-3/h4-8H,14H2,1-3H3,(H,15,16)
InChIKeyOFGDUSVUEHNHIS-UHFFFAOYSA-N
XLogP2.88
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 82540427
5-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 82542709
5-(1-aminoethyl)-4-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 82541782
5-(1-aminoethyl)-4-(3,5-difluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 82541961
1-[2-(2,3-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61280126
4-[5-(1-aminoethyl)-2-(methylamino)-1,3-thiazol-4-yl]benzoic acid
CID 82541821
5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82516112
4-(2-amino-1,3-thiazol-5-yl)-5-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 89235839
5,6-bis(2-methoxyphenyl)-N-propan-2-yl-1,2,4-triazin-3-amine
CID 46953104
1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 56810229
3-(2-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268941
5-(2,3-dimethoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 116811899

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine (CID 82542023) is 5-(1-aminoethyl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine is CNc1nc(-c2ccccc2OC)c(C(C)N)s1.
What is the InChIKey of 5-(1-aminoethyl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is OFGDUSVUEHNHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8(14)12-11(16-13(15-2)18-12)9-6-4-5-7-10(9)17-3/h4-8H,14H2,1-3H3,(H,15,16).
What are the key properties of 5-(1-aminoethyl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
5-(1-aminoethyl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 263.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82542023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).