2-(2-amino-1,3-thiazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide

C11H18N4O3S2 — CID 62799943

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)Cc2csc(N)n2)CC1
InChIInChI=1S/C11H18N4O3S2/c1-20(17,18)15-4-2-8(3-5-15)13-10(16)6-9-7-19-11(12)14-9/h7-8H,2-6H2,1H3,(H2,12,14)(H,13,16)
InChIKeyKCFYVDYRRPHJRG-UHFFFAOYSA-N
MW318.42 g/mol
LogP-0.19
Rot. Bonds4

About 2-(2-amino-1,3-thiazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide (PubChem CID 62799943) has the molecular formula C11H18N4O3S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
PubChem CID62799943
Molecular FormulaC11H18N4O3S2
Molecular Weight318.42 g/mol
Exact Mass318.08
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)Cc2csc(N)n2)CC1
InChIInChI=1S/C11H18N4O3S2/c1-20(17,18)15-4-2-8(3-5-15)13-10(16)6-9-7-19-11(12)14-9/h7-8H,2-6H2,1H3,(H2,12,14)(H,13,16)
InChIKeyKCFYVDYRRPHJRG-UHFFFAOYSA-N
XLogP-0.19
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 62797099
2-(2-amino-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62798738
2-(2-amino-1,3-thiazol-4-yl)-N-(1-ethylpiperidin-3-yl)acetamide
CID 62800166
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-cyclopropylpropanamide
CID 79401067
2-(2-amino-1,3-thiazol-4-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 106255793
ethyl 4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]piperidine-1-carboxylate
CID 31339684
2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 62789252
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 106026146
2-(3-aminopyrazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 62101058
3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 120608479
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide
CID 55120129
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide
CID 82548102

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide (CID 62799943) is 2-(2-amino-1,3-thiazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide is CS(=O)(=O)N1CCC(NC(=O)Cc2csc(N)n2)CC1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The InChIKey is KCFYVDYRRPHJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S2/c1-20(17,18)15-4-2-8(3-5-15)13-10(16)6-9-7-19-11(12)14-9/h7-8H,2-6H2,1H3,(H2,12,14)(H,13,16).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide has a molecular weight of 318.42 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide is sourced from PubChem (CID 62799943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).