4-(3-chlorophenyl)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide

C18H21ClN6O3S — CID 20932522

IUPAC4-(3-chlorophenyl)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide
SMILESO=C(Nc1snnc1C(=O)N1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H21ClN6O3S/c19-13-2-1-3-14(12-13)23-4-6-25(7-5-23)18(27)20-16-15(21-22-29-16)17(26)24-8-10-28-11-9-24/h1-3,12H,4-11H2,(H,20,27)
InChIKeyZQYIEJYGONTMFZ-UHFFFAOYSA-N
MW436.93 g/mol
LogP2.02
Rot. Bonds3

About 4-(3-chlorophenyl)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide

4-(3-chlorophenyl)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide (PubChem CID 20932522) has the molecular formula C18H21ClN6O3S and a molecular weight of 436.93 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide
PubChem CID20932522
Molecular FormulaC18H21ClN6O3S
Molecular Weight436.93 g/mol
Exact Mass436.11
IUPAC Name4-(3-chlorophenyl)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide
SMILESO=C(Nc1snnc1C(=O)N1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H21ClN6O3S/c19-13-2-1-3-14(12-13)23-4-6-25(7-5-23)18(27)20-16-15(21-22-29-16)17(26)24-8-10-28-11-9-24/h1-3,12H,4-11H2,(H,20,27)
InChIKeyZQYIEJYGONTMFZ-UHFFFAOYSA-N
XLogP2.02
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.93
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide (CID 20932522) is 4-(3-chlorophenyl)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide is O=C(Nc1snnc1C(=O)N1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide?
The InChIKey is ZQYIEJYGONTMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6O3S/c19-13-2-1-3-14(12-13)23-4-6-25(7-5-23)18(27)20-16-15(21-22-29-16)17(26)24-8-10-28-11-9-24/h1-3,12H,4-11H2,(H,20,27).
What are the key properties of 4-(3-chlorophenyl)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide has a molecular weight of 436.93 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide is sourced from PubChem (CID 20932522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).