(S)-[2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol

C20H23N3OS2 — CID 92562841

IUPAC(S)-[2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol
SMILESCc1ccsc1CN1CCN(c2ccccc2[C@H](O)c2nccs2)CC1
InChIInChI=1S/C20H23N3OS2/c1-15-6-12-25-18(15)14-22-8-10-23(11-9-22)17-5-3-2-4-16(17)19(24)20-21-7-13-26-20/h2-7,12-13,19,24H,8-11,14H2,1H3/t19-/m0/s1
InChIKeyKYKGJIFPOGZSGY-IBGZPJMESA-N
MW385.56 g/mol
LogP3.92
Rot. Bonds5

About (S)-[2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol

(S)-[2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol (PubChem CID 92562841) has the molecular formula C20H23N3OS2 and a molecular weight of 385.56 g/mol. Its IUPAC name is (S)-[2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(S)-[2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol
PubChem CID92562841
Molecular FormulaC20H23N3OS2
Molecular Weight385.56 g/mol
Exact Mass385.13
IUPAC Name(S)-[2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol
SMILESCc1ccsc1CN1CCN(c2ccccc2[C@H](O)c2nccs2)CC1
InChIInChI=1S/C20H23N3OS2/c1-15-6-12-25-18(15)14-22-8-10-23(11-9-22)17-5-3-2-4-16(17)19(24)20-21-7-13-26-20/h2-7,12-13,19,24H,8-11,14H2,1H3/t19-/m0/s1
InChIKeyKYKGJIFPOGZSGY-IBGZPJMESA-N
XLogP3.92
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol
CID 110245059
[2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol
CID 110220734
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone
CID 51362820
[2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol
CID 110220769
(S)-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol
CID 92593823
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56540997
[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol
CID 110220840
(S)-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 92567353
(2-chloro-3-pyridinyl)-(1,3-thiazol-2-yl)methanol
CID 54170926
4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-[(1S)-1-(1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione
CID 42471256
1-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 176882445
(2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol
CID 104658962

Frequently Asked Questions

What is the IUPAC name of (S)-[2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol?
The IUPAC name of (S)-[2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol (CID 92562841) is (S)-[2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (S)-[2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for (S)-[2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol is Cc1ccsc1CN1CCN(c2ccccc2[C@H](O)c2nccs2)CC1.
What is the InChIKey of (S)-[2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol?
The InChIKey is KYKGJIFPOGZSGY-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23N3OS2/c1-15-6-12-25-18(15)14-22-8-10-23(11-9-22)17-5-3-2-4-16(17)19(24)20-21-7-13-26-20/h2-7,12-13,19,24H,8-11,14H2,1H3/t19-/m0/s1.
What are the key properties of (S)-[2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol?
(S)-[2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol has a molecular weight of 385.56 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 92562841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).