1-(4,5-dihydro-1,3-thiazol-2-yl)-3-naphthalen-1-ylurea

C14H13N3OS — CID 108884683

IUPAC1-(4,5-dihydro-1,3-thiazol-2-yl)-3-naphthalen-1-ylurea
SMILESO=C(NC1=NCCS1)Nc1cccc2ccccc12
InChIInChI=1S/C14H13N3OS/c18-13(17-14-15-8-9-19-14)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H2,15,16,17,18)
InChIKeyPEEREBAJNIJNJZ-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.06
Rot. Bonds1

About 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-naphthalen-1-ylurea

1-(4,5-dihydro-1,3-thiazol-2-yl)-3-naphthalen-1-ylurea (PubChem CID 108884683) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3-naphthalen-1-ylurea
PubChem CID108884683
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3-naphthalen-1-ylurea
SMILESO=C(NC1=NCCS1)Nc1cccc2ccccc12
InChIInChI=1S/C14H13N3OS/c18-13(17-14-15-8-9-19-14)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H2,15,16,17,18)
InChIKeyPEEREBAJNIJNJZ-UHFFFAOYSA-N
XLogP3.06
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
1-naphthalen-1-yl-3-(1,3,4-thiadiazol-2-yl)urea
CID 770809
(2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide
CID 99864673
1-(4-chlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
CID 840553
2-(2-chloroanilino)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 95257494
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7534992
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
4,5-dimethyl-2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxamide
CID 35523539
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfanylacetamide
CID 7534956
1-naphthalen-1-yl-3-(2H-tetrazol-5-yl)urea
CID 4657421

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-naphthalen-1-ylurea (CID 108884683) is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-naphthalen-1-ylurea is O=C(NC1=NCCS1)Nc1cccc2ccccc12.
What is the InChIKey of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-naphthalen-1-ylurea?
The InChIKey is PEEREBAJNIJNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c18-13(17-14-15-8-9-19-14)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H2,15,16,17,18).
What are the key properties of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-naphthalen-1-ylurea?
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-naphthalen-1-ylurea has a molecular weight of 271.35 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 108884683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).