(6-amino-3-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C18H20N6OS — CID 72873576

IUPAC(6-amino-3-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCCC(c3nccn3Cc3cscn3)C2)cn1
InChIInChI=1S/C18H20N6OS/c19-16-4-3-13(8-21-16)18(25)24-6-1-2-14(9-24)17-20-5-7-23(17)10-15-11-26-12-22-15/h3-5,7-8,11-12,14H,1-2,6,9-10H2,(H2,19,21)
InChIKeyHDMVTZFIYVGGRW-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.38
Rot. Bonds4

About (6-amino-3-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(6-amino-3-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72873576) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-amino-3-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID72873576
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name(6-amino-3-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCCC(c3nccn3Cc3cscn3)C2)cn1
InChIInChI=1S/C18H20N6OS/c19-16-4-3-13(8-21-16)18(25)24-6-1-2-14(9-24)17-20-5-7-23(17)10-15-11-26-12-22-15/h3-5,7-8,11-12,14H,1-2,6,9-10H2,(H2,19,21)
InChIKeyHDMVTZFIYVGGRW-UHFFFAOYSA-N
XLogP2.38
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (6-amino-3-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72873576) is (6-amino-3-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-amino-3-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (6-amino-3-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is Nc1ccc(C(=O)N2CCCC(c3nccn3Cc3cscn3)C2)cn1.
What is the InChIKey of (6-amino-3-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is HDMVTZFIYVGGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c19-16-4-3-13(8-21-16)18(25)24-6-1-2-14(9-24)17-20-5-7-23(17)10-15-11-26-12-22-15/h3-5,7-8,11-12,14H,1-2,6,9-10H2,(H2,19,21).
What are the key properties of (6-amino-3-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(6-amino-3-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 368.47 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72873576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).