1-[(6-methoxynaphthalen-2-yl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

C18H19N3O2S — CID 56826090

IUPAC1-[(6-methoxynaphthalen-2-yl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCOc1ccc2cc(CNC(=O)NCc3scnc3C)ccc2c1
InChIInChI=1S/C18H19N3O2S/c1-12-17(24-11-21-12)10-20-18(22)19-9-13-3-4-15-8-16(23-2)6-5-14(15)7-13/h3-8,11H,9-10H2,1-2H3,(H2,19,20,22)
InChIKeyJCRRYWNSNBQYFF-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.61
Rot. Bonds5

About 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

1-[(6-methoxynaphthalen-2-yl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 56826090) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[(6-methoxynaphthalen-2-yl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID56826090
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name1-[(6-methoxynaphthalen-2-yl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCOc1ccc2cc(CNC(=O)NCc3scnc3C)ccc2c1
InChIInChI=1S/C18H19N3O2S/c1-12-17(24-11-21-12)10-20-18(22)19-9-13-3-4-15-8-16(23-2)6-5-14(15)7-13/h3-8,11H,9-10H2,1-2H3,(H2,19,20,22)
InChIKeyJCRRYWNSNBQYFF-UHFFFAOYSA-N
XLogP3.61
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea with MolForge

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Related Compounds

1-(6-methoxynaphthalen-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 63279880
1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 110894111
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139
1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 46699791
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
CID 24612073
1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea
CID 115612251
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 46583960
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 30177336
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 75478004
1-[1-(4-fluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 24612610

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (CID 56826090) is 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is COc1ccc2cc(CNC(=O)NCc3scnc3C)ccc2c1.
What is the InChIKey of 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is JCRRYWNSNBQYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-17(24-11-21-12)10-20-18(22)19-9-13-3-4-15-8-16(23-2)6-5-14(15)7-13/h3-8,11H,9-10H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 341.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 56826090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).