4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole

C18H25N3OS — CID 175660267

IUPAC4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1csc(CN2CCNCC2c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C18H25N3OS/c1-13(2)22-16-6-4-15(5-7-16)17-10-19-8-9-21(17)11-18-20-14(3)12-23-18/h4-7,12-13,17,19H,8-11H2,1-3H3
InChIKeyHIUWOIRGZYYLOB-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.39
Rot. Bonds5

About 4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole

4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 175660267) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID175660267
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1csc(CN2CCNCC2c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C18H25N3OS/c1-13(2)22-16-6-4-15(5-7-16)17-10-19-8-9-21(17)11-18-20-14(3)12-23-18/h4-7,12-13,17,19H,8-11H2,1-3H3
InChIKeyHIUWOIRGZYYLOB-UHFFFAOYSA-N
XLogP3.39
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 175656523
1-[(2-methyl-3-pyridinyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine
CID 175660271
2-[(2-ethylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 64933085
1-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)piperazine
CID 175659582
2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 110109340
(2R)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 124944321
1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine
CID 175659920
4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 125002367
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120769103
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
2-ethyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120910725
(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine
CID 99906556

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole (CID 175660267) is 4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole is Cc1csc(CN2CCNCC2c2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is HIUWOIRGZYYLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-13(2)22-16-6-4-15(5-7-16)17-10-19-8-9-21(17)11-18-20-14(3)12-23-18/h4-7,12-13,17,19H,8-11H2,1-3H3.
What are the key properties of 4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 331.49 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 175660267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).