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

C14H19N3OS — CID 65483096

IUPAC4-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CN(C)CCc2csc(N)n2)cc1
InChIInChI=1S/C14H19N3OS/c1-17(8-7-12-10-19-14(15)16-12)9-11-3-5-13(18-2)6-4-11/h3-6,10H,7-9H2,1-2H3,(H2,15,16)
InChIKeyYODUUVSOSZGMMK-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.41
Rot. Bonds6

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

4-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine (PubChem CID 65483096) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine
PubChem CID65483096
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CN(C)CCc2csc(N)n2)cc1
InChIInChI=1S/C14H19N3OS/c1-17(8-7-12-10-19-14(15)16-12)9-11-3-5-13(18-2)6-4-11/h3-6,10H,7-9H2,1-2H3,(H2,15,16)
InChIKeyYODUUVSOSZGMMK-UHFFFAOYSA-N
XLogP2.41
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine
CID 65482707
4-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65483093
4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine
CID 114396487
2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 62798203
4-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484461
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylethanamine
CID 3031961
3-[2-[(4-methoxyphenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103486744
6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 8793303
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(4-methoxyphenyl)furan-2-carboxamide
CID 50959187
2-(2-amino-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 62799940
3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417517

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine (CID 65483096) is 4-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine is COc1ccc(CN(C)CCc2csc(N)n2)cc1.
What is the InChIKey of 4-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine?
The InChIKey is YODUUVSOSZGMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-17(8-7-12-10-19-14(15)16-12)9-11-3-5-13(18-2)6-4-11/h3-6,10H,7-9H2,1-2H3,(H2,15,16).
What are the key properties of 4-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine?
4-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine has a molecular weight of 277.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65483096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).