1-naphthalen-1-yl-3-(1,3,4-thiadiazol-2-yl)urea

C13H10N4OS — CID 770809

IUPAC1-naphthalen-1-yl-3-(1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1nncs1)Nc1cccc2ccccc12
InChIInChI=1S/C13H10N4OS/c18-12(16-13-17-14-8-19-13)15-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H2,15,16,17,18)
InChIKeyHMNATDLXNSZYPH-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.34
Rot. Bonds2

About 1-naphthalen-1-yl-3-(1,3,4-thiadiazol-2-yl)urea

1-naphthalen-1-yl-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 770809) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID770809
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC Name1-naphthalen-1-yl-3-(1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1nncs1)Nc1cccc2ccccc12
InChIInChI=1S/C13H10N4OS/c18-12(16-13-17-14-8-19-13)15-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H2,15,16,17,18)
InChIKeyHMNATDLXNSZYPH-UHFFFAOYSA-N
XLogP3.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
2-methyl-3-(1,3,4-thiadiazol-2-ylcarbamoylamino)benzoic acid
CID 62948243
3-(1,3,4-thiadiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447864
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-naphthalen-1-ylurea
CID 108884683
1-naphthalen-1-yl-3-(2H-tetrazol-5-yl)urea
CID 4657421
naphthalen-1-ylurea;hydrochloride
CID 141142203
1-(5-benzhydrylsulfanyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-ylurea
CID 3612227
3-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 61192939
2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 16771814
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-naphthalen-1-yl-3-(1,3,4-thiadiazol-2-yl)urea (CID 770809) is 1-naphthalen-1-yl-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-naphthalen-1-yl-3-(1,3,4-thiadiazol-2-yl)urea is O=C(Nc1nncs1)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is HMNATDLXNSZYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c18-12(16-13-17-14-8-19-13)15-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H2,15,16,17,18).
What are the key properties of 1-naphthalen-1-yl-3-(1,3,4-thiadiazol-2-yl)urea?
1-naphthalen-1-yl-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 270.32 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 770809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).