4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole

C15H19N3S — CID 103885656

IUPAC4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
SMILESC[C@H]1CN(Cc2csc(-c3ccccc3)n2)CCN1
InChIInChI=1S/C15H19N3S/c1-12-9-18(8-7-16-12)10-14-11-19-15(17-14)13-5-3-2-4-6-13/h2-6,11-12,16H,7-10H2,1H3/t12-/m0/s1
InChIKeyWEFLNJDRGNQWNV-LBPRGKRZSA-N
MW273.40 g/mol
LogP2.60
Rot. Bonds3

About 4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole

4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole (PubChem CID 103885656) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
PubChem CID103885656
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
SMILESC[C@H]1CN(Cc2csc(-c3ccccc3)n2)CCN1
InChIInChI=1S/C15H19N3S/c1-12-9-18(8-7-16-12)10-14-11-19-15(17-14)13-5-3-2-4-6-13/h2-6,11-12,16H,7-10H2,1H3/t12-/m0/s1
InChIKeyWEFLNJDRGNQWNV-LBPRGKRZSA-N
XLogP2.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 113345871
4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 103898315
3-[[(3S)-3-methylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole
CID 104977337
3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 114681267
1-benzyl-3-methylpiperazine;ethane
CID 166543639
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 29231219
5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 79992782
2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline
CID 113345872
N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 104977309
N-[4-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 119924458
(3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 104975601

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole (CID 103885656) is 4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole is C[C@H]1CN(Cc2csc(-c3ccccc3)n2)CCN1.
What is the InChIKey of 4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole?
The InChIKey is WEFLNJDRGNQWNV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3S/c1-12-9-18(8-7-16-12)10-14-11-19-15(17-14)13-5-3-2-4-6-13/h2-6,11-12,16H,7-10H2,1H3/t12-/m0/s1.
What are the key properties of 4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole?
4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole has a molecular weight of 273.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 103885656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).