2-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C16H22N4O3S — CID 97039019

IUPAC2-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCN(C[C@H](O)c3ccco3)CC2)n1
InChIInChI=1S/C16H22N4O3S/c1-12-11-24-16(17-12)18-15(22)10-20-6-4-19(5-7-20)9-13(21)14-3-2-8-23-14/h2-3,8,11,13,21H,4-7,9-10H2,1H3,(H,17,18,22)/t13-/m0/s1
InChIKeyYOHJYNNGOGILIV-ZDUSSCGKSA-N
MW350.44 g/mol
LogP1.33
Rot. Bonds6

About 2-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 97039019) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID97039019
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name2-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCN(C[C@H](O)c3ccco3)CC2)n1
InChIInChI=1S/C16H22N4O3S/c1-12-11-24-16(17-12)18-15(22)10-20-6-4-19(5-7-20)9-13(21)14-3-2-8-23-14/h2-3,8,11,13,21H,4-7,9-10H2,1H3,(H,17,18,22)/t13-/m0/s1
InChIKeyYOHJYNNGOGILIV-ZDUSSCGKSA-N
XLogP1.33
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521752
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 63596576
3-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 18863031
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide
CID 78896987
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 113249885
ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 41313078
2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 78857886
N-ethyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
CID 71783458
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119905232
2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 63904542
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 34193850
2-[3-(methylamino)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 62547767

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 97039019) is 2-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CN2CCN(C[C@H](O)c3ccco3)CC2)n1.
What is the InChIKey of 2-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is YOHJYNNGOGILIV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-12-11-24-16(17-12)18-15(22)10-20-6-4-19(5-7-20)9-13(21)14-3-2-8-23-14/h2-3,8,11,13,21H,4-7,9-10H2,1H3,(H,17,18,22)/t13-/m0/s1.
What are the key properties of 2-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 350.44 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 97039019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).