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

C13H17N3OS — CID 94694003

IUPAC5-(2-aminoethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
SMILESCOc1cccc(Nc2nc(C)c(CCN)s2)c1
InChIInChI=1S/C13H17N3OS/c1-9-12(6-7-14)18-13(15-9)16-10-4-3-5-11(8-10)17-2/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyCJQLFUUOPKAKIJ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.70
Rot. Bonds5

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

5-(2-aminoethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 94694003) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID94694003
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-(2-aminoethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
SMILESCOc1cccc(Nc2nc(C)c(CCN)s2)c1
InChIInChI=1S/C13H17N3OS/c1-9-12(6-7-14)18-13(15-9)16-10-4-3-5-11(8-10)17-2/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyCJQLFUUOPKAKIJ-UHFFFAOYSA-N
XLogP2.70
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916420
5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7489943
N-(4-ethylphenyl)-2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152980
methyl 2-(3-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569757
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142312
N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414475
ethyl 3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]propanoate
CID 103486018
[4-amino-2-(3-methoxyanilino)-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone
CID 50761488
N-(3,5-dimethoxyphenyl)-4-methyl-2-(3-methylanilino)-1,3-thiazole-5-carboxamide
CID 53152783
3-[2-(3-acetylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82162009
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)oxamide
CID 108519615
N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114787066

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine (CID 94694003) is 5-(2-aminoethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine is COc1cccc(Nc2nc(C)c(CCN)s2)c1.
What is the InChIKey of 5-(2-aminoethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is CJQLFUUOPKAKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9-12(6-7-14)18-13(15-9)16-10-4-3-5-11(8-10)17-2/h3-5,8H,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of 5-(2-aminoethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine?
5-(2-aminoethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 263.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 94694003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).