4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyrimidin-4-ylpiperazine-1-carboxamide

C17H17N7OS — CID 44562149

IUPAC4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyrimidin-4-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccncn1)N1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C17H17N7OS/c25-16(20-14-6-7-18-12-19-14)23-8-10-24(11-9-23)17-21-15(22-26-17)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,18,19,20,25)
InChIKeyGELGBGXOTGHLQA-UHFFFAOYSA-N
MW367.44 g/mol
LogP2.35
Rot. Bonds3

About 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyrimidin-4-ylpiperazine-1-carboxamide

4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyrimidin-4-ylpiperazine-1-carboxamide (PubChem CID 44562149) has the molecular formula C17H17N7OS and a molecular weight of 367.44 g/mol. Its IUPAC name is 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyrimidin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyrimidin-4-ylpiperazine-1-carboxamide
PubChem CID44562149
Molecular FormulaC17H17N7OS
Molecular Weight367.44 g/mol
Exact Mass367.12
IUPAC Name4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyrimidin-4-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccncn1)N1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C17H17N7OS/c25-16(20-14-6-7-18-12-19-14)23-8-10-24(11-9-23)17-21-15(22-26-17)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,18,19,20,25)
InChIKeyGELGBGXOTGHLQA-UHFFFAOYSA-N
XLogP2.35
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyrimidin-4-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyrimidin-4-ylpiperazine-1-carboxamide (CID 44562149) is 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyrimidin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyrimidin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyrimidin-4-ylpiperazine-1-carboxamide is O=C(Nc1ccncn1)N1CCN(c2nc(-c3ccccc3)ns2)CC1.
What is the InChIKey of 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyrimidin-4-ylpiperazine-1-carboxamide?
The InChIKey is GELGBGXOTGHLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7OS/c25-16(20-14-6-7-18-12-19-14)23-8-10-24(11-9-23)17-21-15(22-26-17)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,18,19,20,25).
What are the key properties of 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyrimidin-4-ylpiperazine-1-carboxamide?
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyrimidin-4-ylpiperazine-1-carboxamide has a molecular weight of 367.44 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyrimidin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 44562149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).