1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-quinolin-2-ylurea

C14H13N5OS — CID 50744730

IUPAC1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-quinolin-2-ylurea
SMILESCCc1nnc(NC(=O)Nc2ccc3ccccc3n2)s1
InChIInChI=1S/C14H13N5OS/c1-2-12-18-19-14(21-12)17-13(20)16-11-8-7-9-5-3-4-6-10(9)15-11/h3-8H,2H2,1H3,(H2,15,16,17,19,20)
InChIKeyKXKNPVUSVOEJOL-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.29
Rot. Bonds3

About 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-quinolin-2-ylurea

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-quinolin-2-ylurea (PubChem CID 50744730) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-quinolin-2-ylurea.

Molecular Properties

Compound Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-quinolin-2-ylurea
PubChem CID50744730
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-quinolin-2-ylurea
SMILESCCc1nnc(NC(=O)Nc2ccc3ccccc3n2)s1
InChIInChI=1S/C14H13N5OS/c1-2-12-18-19-14(21-12)17-13(20)16-11-8-7-9-5-3-4-6-10(9)15-11/h3-8H,2H2,1H3,(H2,15,16,17,19,20)
InChIKeyKXKNPVUSVOEJOL-UHFFFAOYSA-N
XLogP3.29
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272482
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 881043
1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 22430369
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide
CID 25480929
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 6621602
N-(5-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 26197186
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 3238317
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide
CID 54787299
1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-ylurea
CID 110491785
2-(1-bromonaphthalen-2-yl)oxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 37027363
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxy-3-phenylbutanamide
CID 110024954
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide
CID 2475480

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-quinolin-2-ylurea?
The IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-quinolin-2-ylurea (CID 50744730) is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-quinolin-2-ylurea.
What is the SMILES notation for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-quinolin-2-ylurea?
The canonical SMILES for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-quinolin-2-ylurea is CCc1nnc(NC(=O)Nc2ccc3ccccc3n2)s1.
What is the InChIKey of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-quinolin-2-ylurea?
The InChIKey is KXKNPVUSVOEJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-2-12-18-19-14(21-12)17-13(20)16-11-8-7-9-5-3-4-6-10(9)15-11/h3-8H,2H2,1H3,(H2,15,16,17,19,20).
What are the key properties of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-quinolin-2-ylurea?
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-quinolin-2-ylurea has a molecular weight of 299.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-quinolin-2-ylurea is sourced from PubChem (CID 50744730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).