N-[5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide

C17H19N3O2S2 — CID 86903169

IUPACN-[5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC(c3nccs3)C2)s1)C1CC1
InChIInChI=1S/C17H19N3O2S2/c21-15(11-3-4-11)19-14-6-5-13(24-14)17(22)20-8-1-2-12(10-20)16-18-7-9-23-16/h5-7,9,11-12H,1-4,8,10H2,(H,19,21)
InChIKeyJQOOXEVINRPUGG-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.57
Rot. Bonds4

About N-[5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide

N-[5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide (PubChem CID 86903169) has the molecular formula C17H19N3O2S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
PubChem CID86903169
Molecular FormulaC17H19N3O2S2
Molecular Weight361.49 g/mol
Exact Mass361.09
IUPAC NameN-[5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC(c3nccs3)C2)s1)C1CC1
InChIInChI=1S/C17H19N3O2S2/c21-15(11-3-4-11)19-14-6-5-13(24-14)17(22)20-8-1-2-12(10-20)16-18-7-9-23-16/h5-7,9,11-12H,1-4,8,10H2,(H,19,21)
InChIKeyJQOOXEVINRPUGG-UHFFFAOYSA-N
XLogP3.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135424
N-[5-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide
CID 162698002
N-[5-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 86893779
(4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125024129
N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 17493933
(3-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247570
3-(1,3-thiazol-2-yl)azepane-1-carboxamide
CID 67258050
(2S,4R)-N-[5-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]thiophen-2-yl]-4-[8-[(3R,5S)-5-[[5-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]thiophen-2-yl]carbamoyl]pyrrolidin-3-yl]oxyoctoxy]pyrrolidine-2-carboxamide
CID 166936121
2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873436
N-[5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 97184862
(3-piperidin-1-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56579291
(2S)-1-methyl-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide
CID 162697997

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide (CID 86903169) is N-[5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide is O=C(Nc1ccc(C(=O)N2CCCC(c3nccs3)C2)s1)C1CC1.
What is the InChIKey of N-[5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The InChIKey is JQOOXEVINRPUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S2/c21-15(11-3-4-11)19-14-6-5-13(24-14)17(22)20-8-1-2-12(10-20)16-18-7-9-23-16/h5-7,9,11-12H,1-4,8,10H2,(H,19,21).
What are the key properties of N-[5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
N-[5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide has a molecular weight of 361.49 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 86903169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).