4-[[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-piperidin-1-yl-1,3-thiazole

C21H30N4OS — CID 70809648

IUPAC4-[[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-piperidin-1-yl-1,3-thiazole
SMILESCOc1ccccc1N1CCCN(Cc2csc(N3CCCCC3)n2)CC1
InChIInChI=1S/C21H30N4OS/c1-26-20-9-4-3-8-19(20)24-13-7-10-23(14-15-24)16-18-17-27-21(22-18)25-11-5-2-6-12-25/h3-4,8-9,17H,2,5-7,10-16H2,1H3
InChIKeyZVNZOKZWNGNRJF-UHFFFAOYSA-N
MW386.57 g/mol
LogP3.85
Rot. Bonds5

About 4-[[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-piperidin-1-yl-1,3-thiazole

4-[[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-piperidin-1-yl-1,3-thiazole (PubChem CID 70809648) has the molecular formula C21H30N4OS and a molecular weight of 386.57 g/mol. Its IUPAC name is 4-[[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-piperidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-piperidin-1-yl-1,3-thiazole
PubChem CID70809648
Molecular FormulaC21H30N4OS
Molecular Weight386.57 g/mol
Exact Mass386.21
IUPAC Name4-[[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-piperidin-1-yl-1,3-thiazole
SMILESCOc1ccccc1N1CCCN(Cc2csc(N3CCCCC3)n2)CC1
InChIInChI=1S/C21H30N4OS/c1-26-20-9-4-3-8-19(20)24-13-7-10-23(14-15-24)16-18-17-27-21(22-18)25-11-5-2-6-12-25/h3-4,8-9,17H,2,5-7,10-16H2,1H3
InChIKeyZVNZOKZWNGNRJF-UHFFFAOYSA-N
XLogP3.85
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.57
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 43216810
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 4826311
4-[[4-(4-fluoro-2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 70809761
4-[[4-(2-ethoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 70809646
1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol
CID 70823321
4-[[4-(2-methoxy-6-methylphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 70809759
methyl 4-methoxy-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]benzoate
CID 70809689
2-methoxy-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158694
(3-methoxyphenyl)-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158524
4-[[4-(2-ethylphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 70809613
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 154829094
1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763703

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-piperidin-1-yl-1,3-thiazole?
The IUPAC name of 4-[[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-piperidin-1-yl-1,3-thiazole (CID 70809648) is 4-[[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-piperidin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-[[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-piperidin-1-yl-1,3-thiazole?
The canonical SMILES for 4-[[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-piperidin-1-yl-1,3-thiazole is COc1ccccc1N1CCCN(Cc2csc(N3CCCCC3)n2)CC1.
What is the InChIKey of 4-[[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-piperidin-1-yl-1,3-thiazole?
The InChIKey is ZVNZOKZWNGNRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4OS/c1-26-20-9-4-3-8-19(20)24-13-7-10-23(14-15-24)16-18-17-27-21(22-18)25-11-5-2-6-12-25/h3-4,8-9,17H,2,5-7,10-16H2,1H3.
What are the key properties of 4-[[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-piperidin-1-yl-1,3-thiazole?
4-[[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-piperidin-1-yl-1,3-thiazole has a molecular weight of 386.57 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-piperidin-1-yl-1,3-thiazole is sourced from PubChem (CID 70809648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).