1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea

C17H21N5O2S — CID 86842209

IUPAC1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCCc1nnc(NC(=O)NCC(=O)N2CCCc3ccccc32)s1
InChIInChI=1S/C17H21N5O2S/c1-2-6-14-20-21-17(25-14)19-16(24)18-11-15(23)22-10-5-8-12-7-3-4-9-13(12)22/h3-4,7,9H,2,5-6,8,10-11H2,1H3,(H2,18,19,21,24)
InChIKeyCNTPFZASTKVDLA-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.59
Rot. Bonds5

About 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea

1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 86842209) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID86842209
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCCc1nnc(NC(=O)NCC(=O)N2CCCc3ccccc32)s1
InChIInChI=1S/C17H21N5O2S/c1-2-6-14-20-21-17(25-14)19-16(24)18-11-15(23)22-10-5-8-12-7-3-4-9-13(12)22/h3-4,7,9H,2,5-6,8,10-11H2,1H3,(H2,18,19,21,24)
InChIKeyCNTPFZASTKVDLA-UHFFFAOYSA-N
XLogP2.59
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea (CID 86842209) is 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea is CCCc1nnc(NC(=O)NCC(=O)N2CCCc3ccccc32)s1.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is CNTPFZASTKVDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-2-6-14-20-21-17(25-14)19-16(24)18-11-15(23)22-10-5-8-12-7-3-4-9-13(12)22/h3-4,7,9H,2,5-6,8,10-11H2,1H3,(H2,18,19,21,24).
What are the key properties of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 359.46 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 86842209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).