2-amino-N-[4-[3-(4-sulfanylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide

C16H20N4OS2 — CID 154668523

IUPAC2-amino-N-[4-[3-(4-sulfanylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESNCC(=O)Nc1nc(-c2cccc(N3CCC(S)CC3)c2)cs1
InChIInChI=1S/C16H20N4OS2/c17-9-15(21)19-16-18-14(10-23-16)11-2-1-3-12(8-11)20-6-4-13(22)5-7-20/h1-3,8,10,13,22H,4-7,9,17H2,(H,18,19,21)
InChIKeyLZEMWHNCBNKATB-UHFFFAOYSA-N
MW348.50 g/mol
LogP2.61
Rot. Bonds4

About 2-amino-N-[4-[3-(4-sulfanylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide

2-amino-N-[4-[3-(4-sulfanylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 154668523) has the molecular formula C16H20N4OS2 and a molecular weight of 348.50 g/mol. Its IUPAC name is 2-amino-N-[4-[3-(4-sulfanylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[3-(4-sulfanylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID154668523
Molecular FormulaC16H20N4OS2
Molecular Weight348.50 g/mol
Exact Mass348.11
IUPAC Name2-amino-N-[4-[3-(4-sulfanylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESNCC(=O)Nc1nc(-c2cccc(N3CCC(S)CC3)c2)cs1
InChIInChI=1S/C16H20N4OS2/c17-9-15(21)19-16-18-14(10-23-16)11-2-1-3-12(8-11)20-6-4-13(22)5-7-20/h1-3,8,10,13,22H,4-7,9,17H2,(H,18,19,21)
InChIKeyLZEMWHNCBNKATB-UHFFFAOYSA-N
XLogP2.61
TPSA71.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 155037559
2-amino-N-[4-[3-[3-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 155026656
2-amino-N-[4-[3-(oxan-4-yl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 154669651
[2-[[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate
CID 175186749
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 34737670
N-[2-[[4-[3-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 154668263
2-amino-N-[4-[3-(oxolan-3-ylmethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 154668811
2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 7339731
N-[2-[[4-[3-(3-hydroxypiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 154668876
[(3R,4R)-3-methyl-1-[3-[2-[[2-[(1-methylsulfonylpyrrole-3-carbonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]phenyl]piperidin-4-yl] acetate
CID 155026555
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 28861460
tert-butyl N-[2-[[4-[3-[(2R)-2-methylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 154667971

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[3-(4-sulfanylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-amino-N-[4-[3-(4-sulfanylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide (CID 154668523) is 2-amino-N-[4-[3-(4-sulfanylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[3-(4-sulfanylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[4-[3-(4-sulfanylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide is NCC(=O)Nc1nc(-c2cccc(N3CCC(S)CC3)c2)cs1.
What is the InChIKey of 2-amino-N-[4-[3-(4-sulfanylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is LZEMWHNCBNKATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS2/c17-9-15(21)19-16-18-14(10-23-16)11-2-1-3-12(8-11)20-6-4-13(22)5-7-20/h1-3,8,10,13,22H,4-7,9,17H2,(H,18,19,21).
What are the key properties of 2-amino-N-[4-[3-(4-sulfanylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide?
2-amino-N-[4-[3-(4-sulfanylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 348.50 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[3-(4-sulfanylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 154668523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).