N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]morpholine-4-carboxamide

C16H20N8O3S — CID 17037005

IUPACN-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]morpholine-4-carboxamide
SMILESO=C(Nc1snnc1C(=O)N1CCN(c2ncccn2)CC1)N1CCOCC1
InChIInChI=1S/C16H20N8O3S/c25-14(22-4-6-23(7-5-22)15-17-2-1-3-18-15)12-13(28-21-20-12)19-16(26)24-8-10-27-11-9-24/h1-3H,4-11H2,(H,19,26)
InChIKeyIHMIPROKZVYYGW-UHFFFAOYSA-N
MW404.46 g/mol
LogP0.15
Rot. Bonds3

About N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]morpholine-4-carboxamide

N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]morpholine-4-carboxamide (PubChem CID 17037005) has the molecular formula C16H20N8O3S and a molecular weight of 404.46 g/mol. Its IUPAC name is N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]morpholine-4-carboxamide
PubChem CID17037005
Molecular FormulaC16H20N8O3S
Molecular Weight404.46 g/mol
Exact Mass404.14
IUPAC NameN-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]morpholine-4-carboxamide
SMILESO=C(Nc1snnc1C(=O)N1CCN(c2ncccn2)CC1)N1CCOCC1
InChIInChI=1S/C16H20N8O3S/c25-14(22-4-6-23(7-5-22)15-17-2-1-3-18-15)12-13(28-21-20-12)19-16(26)24-8-10-27-11-9-24/h1-3H,4-11H2,(H,19,26)
InChIKeyIHMIPROKZVYYGW-UHFFFAOYSA-N
XLogP0.15
TPSA116.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-(3-chlorophenyl)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide
CID 20932522
[6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109096023
morpholin-4-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
CID 109082844
5-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxylic acid
CID 6917313
(3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 104740881
5-[(4-methylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxylic acid
CID 6917312
N-cyclohexyl-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide
CID 17037036
N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108912953
4-(morpholine-4-carbonyl)thiadiazole-5-carboxylic acid
CID 117214913
(3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 107517750
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109301449

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]morpholine-4-carboxamide?
The IUPAC name of N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]morpholine-4-carboxamide (CID 17037005) is N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]morpholine-4-carboxamide is O=C(Nc1snnc1C(=O)N1CCN(c2ncccn2)CC1)N1CCOCC1.
What is the InChIKey of N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]morpholine-4-carboxamide?
The InChIKey is IHMIPROKZVYYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O3S/c25-14(22-4-6-23(7-5-22)15-17-2-1-3-18-15)12-13(28-21-20-12)19-16(26)24-8-10-27-11-9-24/h1-3H,4-11H2,(H,19,26).
What are the key properties of N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]morpholine-4-carboxamide?
N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]morpholine-4-carboxamide has a molecular weight of 404.46 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]morpholine-4-carboxamide is sourced from PubChem (CID 17037005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).