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

C15H20N4OS — CID 43216810

IUPAC4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCOc1ccccc1N1CCN(Cc2csc(N)n2)CC1
InChIInChI=1S/C15H20N4OS/c1-20-14-5-3-2-4-13(14)19-8-6-18(7-9-19)10-12-11-21-15(16)17-12/h2-5,11H,6-10H2,1H3,(H2,16,17)
InChIKeyNVBBVNDMHZBTQH-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.06
Rot. Bonds4

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

4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 43216810) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID43216810
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCOc1ccccc1N1CCN(Cc2csc(N)n2)CC1
InChIInChI=1S/C15H20N4OS/c1-20-14-5-3-2-4-13(14)19-8-6-18(7-9-19)10-12-11-21-15(16)17-12/h2-5,11H,6-10H2,1H3,(H2,16,17)
InChIKeyNVBBVNDMHZBTQH-UHFFFAOYSA-N
XLogP2.06
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 4826311
4-[[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-piperidin-1-yl-1,3-thiazole
CID 70809648
1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763703
4-[[4-(4-fluoro-2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 70809761
[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752473
5-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole
CID 36839160
4-[[4-(2-ethoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 70809646
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 171701082
6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 665945
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 154828993
[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 62417334

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine (CID 43216810) is 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine is COc1ccccc1N1CCN(Cc2csc(N)n2)CC1.
What is the InChIKey of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is NVBBVNDMHZBTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-20-14-5-3-2-4-13(14)19-8-6-18(7-9-19)10-12-11-21-15(16)17-12/h2-5,11H,6-10H2,1H3,(H2,16,17).
What are the key properties of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 304.42 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43216810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).