3-methoxy-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline

C15H20N4OS — CID 107208200

IUPAC3-methoxy-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline
SMILESCOc1cc(N)ccc1CN1CCN(c2nccs2)CC1
InChIInChI=1S/C15H20N4OS/c1-20-14-10-13(16)3-2-12(14)11-18-5-7-19(8-6-18)15-17-4-9-21-15/h2-4,9-10H,5-8,11,16H2,1H3
InChIKeyAOXXZCWXRUVQSK-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.06
Rot. Bonds4

About 3-methoxy-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline

3-methoxy-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline (PubChem CID 107208200) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-methoxy-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline.

Molecular Properties

Compound Name3-methoxy-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline
PubChem CID107208200
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name3-methoxy-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline
SMILESCOc1cc(N)ccc1CN1CCN(c2nccs2)CC1
InChIInChI=1S/C15H20N4OS/c1-20-14-10-13(16)3-2-12(14)11-18-5-7-19(8-6-18)15-17-4-9-21-15/h2-4,9-10H,5-8,11,16H2,1H3
InChIKeyAOXXZCWXRUVQSK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline
CID 107347197
3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline
CID 107208226
4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methoxyaniline
CID 107208413
[6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine
CID 106905543
[3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine
CID 62471212
6,7-dimethyl-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]chromen-2-one
CID 18136600
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111034985
N'-[2-(2-methoxyphenyl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111030107
5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1H-1,2,4-triazol-3-amine
CID 169040469
[5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62423654
N-methyl-1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methanamine
CID 62425656
2-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-1,3-thiazole
CID 114327008

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline?
The IUPAC name of 3-methoxy-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline (CID 107208200) is 3-methoxy-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline.
What is the SMILES notation for 3-methoxy-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline?
The canonical SMILES for 3-methoxy-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline is COc1cc(N)ccc1CN1CCN(c2nccs2)CC1.
What is the InChIKey of 3-methoxy-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline?
The InChIKey is AOXXZCWXRUVQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-20-14-10-13(16)3-2-12(14)11-18-5-7-19(8-6-18)15-17-4-9-21-15/h2-4,9-10H,5-8,11,16H2,1H3.
What are the key properties of 3-methoxy-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline?
3-methoxy-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline 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 3-methoxy-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline is sourced from PubChem (CID 107208200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).