4-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide

C14H18N4OS2 — CID 71975057

IUPAC4-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCc2cnc(-c3cccs3)s2)CC1
InChIInChI=1S/C14H18N4OS2/c15-14(19)18-5-3-10(4-6-18)16-8-11-9-17-13(21-11)12-2-1-7-20-12/h1-2,7,9-10,16H,3-6,8H2,(H2,15,19)
InChIKeyLBALLDSPMBGGRZ-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.50
Rot. Bonds4

About 4-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide

4-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide (PubChem CID 71975057) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 4-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide
PubChem CID71975057
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC Name4-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCc2cnc(-c3cccs3)s2)CC1
InChIInChI=1S/C14H18N4OS2/c15-14(19)18-5-3-10(4-6-18)16-8-11-9-17-13(21-11)12-2-1-7-20-12/h1-2,7,9-10,16H,3-6,8H2,(H2,15,19)
InChIKeyLBALLDSPMBGGRZ-UHFFFAOYSA-N
XLogP2.50
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide?
The IUPAC name of 4-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide (CID 71975057) is 4-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide?
The canonical SMILES for 4-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide is NC(=O)N1CCC(NCc2cnc(-c3cccs3)s2)CC1.
What is the InChIKey of 4-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide?
The InChIKey is LBALLDSPMBGGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c15-14(19)18-5-3-10(4-6-18)16-8-11-9-17-13(21-11)12-2-1-7-20-12/h1-2,7,9-10,16H,3-6,8H2,(H2,15,19).
What are the key properties of 4-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide?
4-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide has a molecular weight of 322.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide is sourced from PubChem (CID 71975057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).