4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole

C16H21N3OS — CID 125002367

IUPAC4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc([C@H]2CNCCN2Cc2csc(C)n2)cc1
InChIInChI=1S/C16H21N3OS/c1-12-18-14(11-21-12)10-19-8-7-17-9-16(19)13-3-5-15(20-2)6-4-13/h3-6,11,16-17H,7-10H2,1-2H3/t16-/m1/s1
InChIKeySJWVDZWLCQHAAM-MRXNPFEDSA-N
MW303.43 g/mol
LogP2.61
Rot. Bonds4

About 4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole

4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 125002367) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID125002367
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc([C@H]2CNCCN2Cc2csc(C)n2)cc1
InChIInChI=1S/C16H21N3OS/c1-12-18-14(11-21-12)10-19-8-7-17-9-16(19)13-3-5-15(20-2)6-4-13/h3-6,11,16-17H,7-10H2,1-2H3/t16-/m1/s1
InChIKeySJWVDZWLCQHAAM-MRXNPFEDSA-N
XLogP2.61
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 110109340
2-methyl-4-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 62673861
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine
CID 99906556
2-ethyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120910725
2-cyclopropyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910295
4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 175660267
2-(2-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120754903
2-(3-fluorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120768485
2-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]piperazine
CID 21331832
2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120780202
2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 125001743

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole (CID 125002367) is 4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole is COc1ccc([C@H]2CNCCN2Cc2csc(C)n2)cc1.
What is the InChIKey of 4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is SJWVDZWLCQHAAM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12-18-14(11-21-12)10-19-8-7-17-9-16(19)13-3-5-15(20-2)6-4-13/h3-6,11,16-17H,7-10H2,1-2H3/t16-/m1/s1.
What are the key properties of 4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 303.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 125002367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).