1-[5-(1-methylimidazol-2-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidine-4-carboxamide

C18H20N6OS — CID 95801634

IUPAC1-[5-(1-methylimidazol-2-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidine-4-carboxamide
SMILESCn1ccnc1-c1cnc(N2CCC(C(N)=O)CC2)nc1-c1cccs1
InChIInChI=1S/C18H20N6OS/c1-23-9-6-20-17(23)13-11-21-18(22-15(13)14-3-2-10-26-14)24-7-4-12(5-8-24)16(19)25/h2-3,6,9-12H,4-5,7-8H2,1H3,(H2,19,25)
InChIKeyQJVLOFRKONOXDG-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.31
Rot. Bonds4

About 1-[5-(1-methylimidazol-2-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidine-4-carboxamide

1-[5-(1-methylimidazol-2-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 95801634) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 1-[5-(1-methylimidazol-2-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(1-methylimidazol-2-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID95801634
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name1-[5-(1-methylimidazol-2-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidine-4-carboxamide
SMILESCn1ccnc1-c1cnc(N2CCC(C(N)=O)CC2)nc1-c1cccs1
InChIInChI=1S/C18H20N6OS/c1-23-9-6-20-17(23)13-11-21-18(22-15(13)14-3-2-10-26-14)24-7-4-12(5-8-24)16(19)25/h2-3,6,9-12H,4-5,7-8H2,1H3,(H2,19,25)
InChIKeyQJVLOFRKONOXDG-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methylimidazol-2-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(1-methylimidazol-2-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidine-4-carboxamide (CID 95801634) is 1-[5-(1-methylimidazol-2-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(1-methylimidazol-2-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(1-methylimidazol-2-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidine-4-carboxamide is Cn1ccnc1-c1cnc(N2CCC(C(N)=O)CC2)nc1-c1cccs1.
What is the InChIKey of 1-[5-(1-methylimidazol-2-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is QJVLOFRKONOXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-23-9-6-20-17(23)13-11-21-18(22-15(13)14-3-2-10-26-14)24-7-4-12(5-8-24)16(19)25/h2-3,6,9-12H,4-5,7-8H2,1H3,(H2,19,25).
What are the key properties of 1-[5-(1-methylimidazol-2-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidine-4-carboxamide?
1-[5-(1-methylimidazol-2-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methylimidazol-2-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 95801634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).