N-(4-ethoxypyrimidin-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

C20H22N6O2S — CID 68778492

IUPACN-(4-ethoxypyrimidin-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCCOc1ncncc1NC(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C20H22N6O2S/c1-2-28-18-16(12-21-14-22-18)23-19(27)25-8-10-26(11-9-25)20-24-17(13-29-20)15-6-4-3-5-7-15/h3-7,12-14H,2,8-11H2,1H3,(H,23,27)
InChIKeyQNILWAVFKIBCFP-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.35
Rot. Bonds5

About N-(4-ethoxypyrimidin-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

N-(4-ethoxypyrimidin-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 68778492) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(4-ethoxypyrimidin-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxypyrimidin-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID68778492
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC NameN-(4-ethoxypyrimidin-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCCOc1ncncc1NC(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C20H22N6O2S/c1-2-28-18-16(12-21-14-22-18)23-19(27)25-8-10-26(11-9-25)20-24-17(13-29-20)15-6-4-3-5-7-15/h3-7,12-14H,2,8-11H2,1H3,(H,23,27)
InChIKeyQNILWAVFKIBCFP-UHFFFAOYSA-N
XLogP3.35
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxypyrimidin-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-ethoxypyrimidin-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 68778492) is N-(4-ethoxypyrimidin-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxypyrimidin-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-ethoxypyrimidin-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is CCOc1ncncc1NC(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of N-(4-ethoxypyrimidin-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is QNILWAVFKIBCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-2-28-18-16(12-21-14-22-18)23-19(27)25-8-10-26(11-9-25)20-24-17(13-29-20)15-6-4-3-5-7-15/h3-7,12-14H,2,8-11H2,1H3,(H,23,27).
What are the key properties of N-(4-ethoxypyrimidin-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-(4-ethoxypyrimidin-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxypyrimidin-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 68778492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).