(5R)-5-methyl-2-[4-[2-[(S)-phenylsulfinyl]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole

C16H23N3OS2 — CID 97222105

IUPAC(5R)-5-methyl-2-[4-[2-[(S)-phenylsulfinyl]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESC[C@@H]1CN=C(N2CCN(CC[S@](=O)c3ccccc3)CC2)S1
InChIInChI=1S/C16H23N3OS2/c1-14-13-17-16(21-14)19-9-7-18(8-10-19)11-12-22(20)15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3/t14-,22+/m1/s1
InChIKeyRYYTYWDQQGTIEI-PEBXRYMYSA-N
MW337.51 g/mol
LogP1.90
Rot. Bonds4

About (5R)-5-methyl-2-[4-[2-[(S)-phenylsulfinyl]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole

(5R)-5-methyl-2-[4-[2-[(S)-phenylsulfinyl]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole (PubChem CID 97222105) has the molecular formula C16H23N3OS2 and a molecular weight of 337.51 g/mol. Its IUPAC name is (5R)-5-methyl-2-[4-[2-[(S)-phenylsulfinyl]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(5R)-5-methyl-2-[4-[2-[(S)-phenylsulfinyl]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole
PubChem CID97222105
Molecular FormulaC16H23N3OS2
Molecular Weight337.51 g/mol
Exact Mass337.13
IUPAC Name(5R)-5-methyl-2-[4-[2-[(S)-phenylsulfinyl]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESC[C@@H]1CN=C(N2CCN(CC[S@](=O)c3ccccc3)CC2)S1
InChIInChI=1S/C16H23N3OS2/c1-14-13-17-16(21-14)19-9-7-18(8-10-19)11-12-22(20)15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3/t14-,22+/m1/s1
InChIKeyRYYTYWDQQGTIEI-PEBXRYMYSA-N
XLogP1.90
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-5-methyl-2-[4-[2-[(S)-phenylsulfinyl]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole with MolForge

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Related Compounds

(5S)-5-methyl-2-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole
CID 96558661
5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole
CID 75377123
4-methyl-3-[2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazol-2-one
CID 71976345
(2S,6R)-2,6-dimethyl-4-[2-[(R)-phenylsulfinyl]ethyl]morpholine
CID 95149940
1-[2-(benzenesulfinyl)ethyl]azepane;hydrochloride
CID 3053263
(2R)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 96558635
2-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 95788061
2-[(2S)-2-methyl-4-[2-[(R)-phenylsulfinyl]ethyl]piperazin-1-yl]-1,3-thiazole
CID 97094600
(2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 95905520
(5R)-5-methyl-2-[4-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole
CID 99828848
[4-[2-[(R)-phenylsulfinyl]ethyl]piperazin-1-yl]-piperidin-1-ylmethanone
CID 95298457
2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole
CID 133389821

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-2-[4-[2-[(S)-phenylsulfinyl]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of (5R)-5-methyl-2-[4-[2-[(S)-phenylsulfinyl]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole (CID 97222105) is (5R)-5-methyl-2-[4-[2-[(S)-phenylsulfinyl]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (5R)-5-methyl-2-[4-[2-[(S)-phenylsulfinyl]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (5R)-5-methyl-2-[4-[2-[(S)-phenylsulfinyl]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole is C[C@@H]1CN=C(N2CCN(CC[S@](=O)c3ccccc3)CC2)S1.
What is the InChIKey of (5R)-5-methyl-2-[4-[2-[(S)-phenylsulfinyl]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
The InChIKey is RYYTYWDQQGTIEI-PEBXRYMYSA-N. The full InChI is InChI=1S/C16H23N3OS2/c1-14-13-17-16(21-14)19-9-7-18(8-10-19)11-12-22(20)15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3/t14-,22+/m1/s1.
What are the key properties of (5R)-5-methyl-2-[4-[2-[(S)-phenylsulfinyl]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
(5R)-5-methyl-2-[4-[2-[(S)-phenylsulfinyl]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole has a molecular weight of 337.51 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-2-[4-[2-[(S)-phenylsulfinyl]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 97222105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).