(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide

C18H24N4O2S — CID 41394791

IUPAC(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide
SMILESCC[C@@H](C(=O)Nc1nccs1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C18H24N4O2S/c1-3-14(17(23)20-18-19-8-13-25-18)21-9-11-22(12-10-21)15-6-4-5-7-16(15)24-2/h4-8,13-14H,3,9-12H2,1-2H3,(H,19,20,23)/t14-/m0/s1
InChIKeyVTZHAHVHWLYSLP-AWEZNQCLSA-N
MW360.48 g/mol
LogP2.69
Rot. Bonds6

About (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide

(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 41394791) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide
PubChem CID41394791
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide
SMILESCC[C@@H](C(=O)Nc1nccs1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C18H24N4O2S/c1-3-14(17(23)20-18-19-8-13-25-18)21-9-11-22(12-10-21)15-6-4-5-7-16(15)24-2/h4-8,13-14H,3,9-12H2,1-2H3,(H,19,20,23)/t14-/m0/s1
InChIKeyVTZHAHVHWLYSLP-AWEZNQCLSA-N
XLogP2.69
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 40932948
2-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide
CID 62901603
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine
CID 89427881
N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2926552
N-(1,3-thiazol-2-yl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide
CID 118785583
(2S)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 42497210
2-[4-(5-methylpyrazine-2-carbonyl)-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)butanamide
CID 137338508
[1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid
CID 137352458
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 97154552
2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 41259077
N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 17455607

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide (CID 41394791) is (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide is CC[C@@H](C(=O)Nc1nccs1)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is VTZHAHVHWLYSLP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-3-14(17(23)20-18-19-8-13-25-18)21-9-11-22(12-10-21)15-6-4-5-7-16(15)24-2/h4-8,13-14H,3,9-12H2,1-2H3,(H,19,20,23)/t14-/m0/s1.
What are the key properties of (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide?
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 360.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 41394791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).