2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide

C18H25N5OS — CID 46979800

IUPAC2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide
SMILESCC1CCN(C(CNC(=O)Cc2nnc(N)s2)c2ccccc2)CC1
InChIInChI=1S/C18H25N5OS/c1-13-7-9-23(10-8-13)15(14-5-3-2-4-6-14)12-20-16(24)11-17-21-22-18(19)25-17/h2-6,13,15H,7-12H2,1H3,(H2,19,22)(H,20,24)
InChIKeyPOVLIMFYPFZJSG-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.25
Rot. Bonds6

About 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide

2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide (PubChem CID 46979800) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide
PubChem CID46979800
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide
SMILESCC1CCN(C(CNC(=O)Cc2nnc(N)s2)c2ccccc2)CC1
InChIInChI=1S/C18H25N5OS/c1-13-7-9-23(10-8-13)15(14-5-3-2-4-6-14)12-20-16(24)11-17-21-22-18(19)25-17/h2-6,13,15H,7-12H2,1H3,(H2,19,22)(H,20,24)
InChIKeyPOVLIMFYPFZJSG-UHFFFAOYSA-N
XLogP2.25
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide
CID 60552065
3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride
CID 120612631
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 119860442
N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide
CID 92584194
3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide
CID 60551889
2-(methoxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,3-thiazole-5-carboxamide
CID 138997085
2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504562
3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504560
1-(3-hydroxypropyl)-3-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]urea
CID 110902742
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 45155822
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 60551856
N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 112504355

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide?
The IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide (CID 46979800) is 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide.
What is the SMILES notation for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide?
The canonical SMILES for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide is CC1CCN(C(CNC(=O)Cc2nnc(N)s2)c2ccccc2)CC1.
What is the InChIKey of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide?
The InChIKey is POVLIMFYPFZJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-13-7-9-23(10-8-13)15(14-5-3-2-4-6-14)12-20-16(24)11-17-21-22-18(19)25-17/h2-6,13,15H,7-12H2,1H3,(H2,19,22)(H,20,24).
What are the key properties of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide?
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide has a molecular weight of 359.50 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide is sourced from PubChem (CID 46979800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).