N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide

C17H20N4OS2 — CID 4034542

IUPACN-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(NN=Cc1sc(N2CCCCC2)nc1-c1cccs1)C1CC1
InChIInChI=1S/C17H20N4OS2/c22-16(12-6-7-12)20-18-11-14-15(13-5-4-10-23-13)19-17(24-14)21-8-2-1-3-9-21/h4-5,10-12H,1-3,6-9H2,(H,20,22)
InChIKeyACSNUPGSJBXXDR-UHFFFAOYSA-N
MW360.51 g/mol
LogP3.72
Rot. Bonds5

About N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide

N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide (PubChem CID 4034542) has the molecular formula C17H20N4OS2 and a molecular weight of 360.51 g/mol. Its IUPAC name is N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide
PubChem CID4034542
Molecular FormulaC17H20N4OS2
Molecular Weight360.51 g/mol
Exact Mass360.11
IUPAC NameN-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(NN=Cc1sc(N2CCCCC2)nc1-c1cccs1)C1CC1
InChIInChI=1S/C17H20N4OS2/c22-16(12-6-7-12)20-18-11-14-15(13-5-4-10-23-13)19-17(24-14)21-8-2-1-3-9-21/h4-5,10-12H,1-3,6-9H2,(H,20,22)
InChIKeyACSNUPGSJBXXDR-UHFFFAOYSA-N
XLogP3.72
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide (CID 4034542) is N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide is O=C(NN=Cc1sc(N2CCCCC2)nc1-c1cccs1)C1CC1.
What is the InChIKey of N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is ACSNUPGSJBXXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS2/c22-16(12-6-7-12)20-18-11-14-15(13-5-4-10-23-13)19-17(24-14)21-8-2-1-3-9-21/h4-5,10-12H,1-3,6-9H2,(H,20,22).
What are the key properties of N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide?
N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 360.51 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 4034542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).