[4-[(2-amino-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-3-ylmethanone

C15H19N5OS — CID 131891386

IUPAC[4-[(2-amino-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESNc1nc(CNC2CCN(C(=O)c3cccnc3)CC2)cs1
InChIInChI=1S/C15H19N5OS/c16-15-19-13(10-22-15)9-18-12-3-6-20(7-4-12)14(21)11-2-1-5-17-8-11/h1-2,5,8,10,12,18H,3-4,6-7,9H2,(H2,16,19)
InChIKeyVOVKKBYPFWCNSX-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.51
Rot. Bonds4

About [4-[(2-amino-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-3-ylmethanone

[4-[(2-amino-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 131891386) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is [4-[(2-amino-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[(2-amino-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID131891386
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name[4-[(2-amino-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESNc1nc(CNC2CCN(C(=O)c3cccnc3)CC2)cs1
InChIInChI=1S/C15H19N5OS/c16-15-19-13(10-22-15)9-18-12-3-6-20(7-4-12)14(21)11-2-1-5-17-8-11/h1-2,5,8,10,12,18H,3-4,6-7,9H2,(H2,16,19)
InChIKeyVOVKKBYPFWCNSX-UHFFFAOYSA-N
XLogP1.51
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[(2-amino-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

[4-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 131933582
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[4-[(cyclopropylamino)methyl]-4-hydroxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 39374438
1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821121
1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
CID 54794112
2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108924891
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 108563311
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
[4-[2-(2-chlorophenoxy)ethylamino]piperidin-1-yl]-pyridin-3-ylmethanone
CID 56715372
pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338
pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 84512200

Frequently Asked Questions

What is the IUPAC name of [4-[(2-amino-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[(2-amino-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-3-ylmethanone (CID 131891386) is [4-[(2-amino-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[(2-amino-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[(2-amino-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-3-ylmethanone is Nc1nc(CNC2CCN(C(=O)c3cccnc3)CC2)cs1.
What is the InChIKey of [4-[(2-amino-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is VOVKKBYPFWCNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c16-15-19-13(10-22-15)9-18-12-3-6-20(7-4-12)14(21)11-2-1-5-17-8-11/h1-2,5,8,10,12,18H,3-4,6-7,9H2,(H2,16,19).
What are the key properties of [4-[(2-amino-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[(2-amino-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 317.42 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-amino-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 131891386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).