N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide

C20H25N3O2S2 — CID 71841718

IUPACN-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESCc1ccc(C(=O)N2CCCC(c3nc(CCNC(=O)C4CC4)cs3)C2)s1
InChIInChI=1S/C20H25N3O2S2/c1-13-4-7-17(27-13)20(25)23-10-2-3-15(11-23)19-22-16(12-26-19)8-9-21-18(24)14-5-6-14/h4,7,12,14-15H,2-3,5-6,8-11H2,1H3,(H,21,24)
InChIKeyHWPUHWGSAOTNLO-UHFFFAOYSA-N
MW403.57 g/mol
LogP3.60
Rot. Bonds6

About N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide

N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (PubChem CID 71841718) has the molecular formula C20H25N3O2S2 and a molecular weight of 403.57 g/mol. Its IUPAC name is N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
PubChem CID71841718
Molecular FormulaC20H25N3O2S2
Molecular Weight403.57 g/mol
Exact Mass403.14
IUPAC NameN-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESCc1ccc(C(=O)N2CCCC(c3nc(CCNC(=O)C4CC4)cs3)C2)s1
InChIInChI=1S/C20H25N3O2S2/c1-13-4-7-17(27-13)20(25)23-10-2-3-15(11-23)19-22-16(12-26-19)8-9-21-18(24)14-5-6-14/h4,7,12,14-15H,2-3,5-6,8-11H2,1H3,(H,21,24)
InChIKeyHWPUHWGSAOTNLO-UHFFFAOYSA-N
XLogP3.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}thiophene-2-carboxamide
CID 7216615
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 5310230
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide
CID 123844711
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 3244736
N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl}thiophene-2-carboxamide
CID 7522068
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 54773766
N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide
CID 127045643
N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide
CID 127047376
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide
CID 127047377
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
CID 127047450
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}cyclohexanecarboxamide
CID 2738811
N-(2-(2-phenylthiazol-4-yl)ethyl)-2-(thiophen-2-yl)acetamide
CID 7119102

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (CID 71841718) is N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is Cc1ccc(C(=O)N2CCCC(c3nc(CCNC(=O)C4CC4)cs3)C2)s1.
What is the InChIKey of N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is HWPUHWGSAOTNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S2/c1-13-4-7-17(27-13)20(25)23-10-2-3-15(11-23)19-22-16(12-26-19)8-9-21-18(24)14-5-6-14/h4,7,12,14-15H,2-3,5-6,8-11H2,1H3,(H,21,24).
What are the key properties of N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 403.57 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 71841718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).