2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone

C15H19N3OS2 — CID 28714175

IUPAC2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cc2sc(N)nc2-c2cccs2)CC1
InChIInChI=1S/C15H19N3OS2/c1-10-4-6-18(7-5-10)13(19)9-12-14(17-15(16)21-12)11-3-2-8-20-11/h2-3,8,10H,4-7,9H2,1H3,(H2,16,17)
InChIKeyKEPFCHYOYSUMSJ-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.25
Rot. Bonds3

About 2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone

2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 28714175) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID28714175
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cc2sc(N)nc2-c2cccs2)CC1
InChIInChI=1S/C15H19N3OS2/c1-10-4-6-18(7-5-10)13(19)9-12-14(17-15(16)21-12)11-3-2-8-20-11/h2-3,8,10H,4-7,9H2,1H3,(H2,16,17)
InChIKeyKEPFCHYOYSUMSJ-UHFFFAOYSA-N
XLogP3.25
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33349321
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
CID 119485358
2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 50750115
5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 46736490
tert-butyl N-[1-[2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]carbamate
CID 55972662
1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylindol-1-yl)ethanone
CID 53032510
2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 2499665
1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanone
CID 4786666
1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfonyl]ethanone
CID 3303963
1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
CID 55972076
2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide
CID 28714206
2-[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone
CID 12559825

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone (CID 28714175) is 2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)Cc2sc(N)nc2-c2cccs2)CC1.
What is the InChIKey of 2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is KEPFCHYOYSUMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-10-4-6-18(7-5-10)13(19)9-12-14(17-15(16)21-12)11-3-2-8-20-11/h2-3,8,10H,4-7,9H2,1H3,(H2,16,17).
What are the key properties of 2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone?
2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 321.47 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 28714175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).