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

C14H17N5OS2 — CID 6893296

IUPAC[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1
InChIInChI=1S/C14H17N5OS2/c15-13(20)18-16-9-11-12(10-5-4-8-21-10)17-14(22-11)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2,(H3,15,18,20)/b16-9+
InChIKeyZIMUJUSYQGZTEM-CXUHLZMHSA-N
MW335.46 g/mol
LogP2.86
Rot. Bonds4

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

[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]urea (PubChem CID 6893296) has the molecular formula C14H17N5OS2 and a molecular weight of 335.46 g/mol. Its IUPAC name is [(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]urea
PubChem CID6893296
Molecular FormulaC14H17N5OS2
Molecular Weight335.46 g/mol
Exact Mass335.09
IUPAC Name[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1
InChIInChI=1S/C14H17N5OS2/c15-13(20)18-16-9-11-12(10-5-4-8-21-10)17-14(22-11)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2,(H3,15,18,20)/b16-9+
InChIKeyZIMUJUSYQGZTEM-CXUHLZMHSA-N
XLogP2.86
TPSA83.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
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 [(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]urea?
The IUPAC name of [(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]urea (CID 6893296) is [(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]urea.
What is the SMILES notation for [(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]urea?
The canonical SMILES for [(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]urea is NC(=O)N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1.
What is the InChIKey of [(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]urea?
The InChIKey is ZIMUJUSYQGZTEM-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H17N5OS2/c15-13(20)18-16-9-11-12(10-5-4-8-21-10)17-14(22-11)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2,(H3,15,18,20)/b16-9+.
What are the key properties of [(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]urea?
[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]urea has a molecular weight of 335.46 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]urea is sourced from PubChem (CID 6893296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).