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

C19H23N3O2S2 — CID 71841905

IUPACN-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1csc(C2CCN(C(=O)c3ccsc3)CC2)n1)C1CC1
InChIInChI=1S/C19H23N3O2S2/c23-17(13-1-2-13)20-7-3-16-12-26-18(21-16)14-4-8-22(9-5-14)19(24)15-6-10-25-11-15/h6,10-14H,1-5,7-9H2,(H,20,23)
InChIKeyAXFAPZPRHGTUKR-UHFFFAOYSA-N
MW389.55 g/mol
LogP3.29
Rot. Bonds6

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

N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (PubChem CID 71841905) has the molecular formula C19H23N3O2S2 and a molecular weight of 389.55 g/mol. Its IUPAC name is N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
PubChem CID71841905
Molecular FormulaC19H23N3O2S2
Molecular Weight389.55 g/mol
Exact Mass389.12
IUPAC NameN-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1csc(C2CCN(C(=O)c3ccsc3)CC2)n1)C1CC1
InChIInChI=1S/C19H23N3O2S2/c23-17(13-1-2-13)20-7-3-16-12-26-18(21-16)14-4-8-22(9-5-14)19(24)15-6-10-25-11-15/h6,10-14H,1-5,7-9H2,(H,20,23)
InChIKeyAXFAPZPRHGTUKR-UHFFFAOYSA-N
XLogP3.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-({2-[1-(Thiophene-2-carbonyl)piperidin-4-YL]-13-thiazol-4-YL}methyl)propanamide
CID 71842220
N-[[2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 53149396
2-methyl-N-({2-[1-(2-thienylcarbonyl)-3-piperidyl]-1,3-thiazol-4-yl}methyl)propanamide
CID 53149440
2-methyl-N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 53149509
N-(2-{2-[1-(Thiophene-2-carbonyl)piperidin-4-YL]-1,3-thiazol-4-YL}ethyl)cyclobutanecarboxamide
CID 53149525
N-(2-{2-[1-(Thiophene-2-carbonyl)piperidin-4-YL]-1,3-thiazol-4-YL}ethyl)propanamide
CID 71830311
N-(2-{2-[1-(2-thienylcarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl}ethyl)cyclopropanecarboxamide
CID 71841693
N-(2-{2-[1-(5-Methylthiophene-2-carbonyl)piperidin-3-YL]-1,3-thiazol-4-YL}ethyl)cyclopropanecarboxamide
CID 71841718
N-(2-{2-[1-(3-Methylthiophene-2-carbonyl)piperidin-3-YL]-1,3-thiazol-4-YL}ethyl)cyclopropanecarboxamide
CID 71841719
N-(2-{2-[1-(Thiophene-3-carbonyl)piperidin-3-YL]-1,3-thiazol-4-YL}ethyl)cyclopropanecarboxamide
CID 71841720
2-Methyl-N-(2-{2-[1-(thiophene-2-carbonyl)piperidin-3-YL]-1,3-thiazol-4-YL}ethyl)propanamide
CID 71841739
2-Methyl-N-(2-{2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-YL]-1,3-thiazol-4-YL}ethyl)propanamide
CID 71841751

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (CID 71841905) is N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is O=C(NCCc1csc(C2CCN(C(=O)c3ccsc3)CC2)n1)C1CC1.
What is the InChIKey of N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is AXFAPZPRHGTUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S2/c23-17(13-1-2-13)20-7-3-16-12-26-18(21-16)14-4-8-22(9-5-14)19(24)15-6-10-25-11-15/h6,10-14H,1-5,7-9H2,(H,20,23).
What are the key properties of N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 389.55 g/mol, XLogP of 3.29, 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-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 71841905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).