1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea

C18H23N3O2S — CID 111482798

IUPAC1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea
SMILESCc1nc(C)c(CNC(=O)NCC2(O)CCCc3ccccc32)s1
InChIInChI=1S/C18H23N3O2S/c1-12-16(24-13(2)21-12)10-19-17(22)20-11-18(23)9-5-7-14-6-3-4-8-15(14)18/h3-4,6,8,23H,5,7,9-11H2,1-2H3,(H2,19,20,22)
InChIKeyVZFQTJACJLWASI-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.78
Rot. Bonds4

About 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea

1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea (PubChem CID 111482798) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea
PubChem CID111482798
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea
SMILESCc1nc(C)c(CNC(=O)NCC2(O)CCCc3ccccc32)s1
InChIInChI=1S/C18H23N3O2S/c1-12-16(24-13(2)21-12)10-19-17(22)20-11-18(23)9-5-7-14-6-3-4-8-15(14)18/h3-4,6,8,23H,5,7,9-11H2,1-2H3,(H2,19,20,22)
InChIKeyVZFQTJACJLWASI-UHFFFAOYSA-N
XLogP2.78
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea
CID 111483109
1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 111110353
1-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111110415
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111507929
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 95177201
1-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylpropyl)urea
CID 111110756
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(naphthalen-1-ylmethyl)urea
CID 121122901
2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 111110680
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 111110498
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]propanamide
CID 111110477
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
CID 121122681
(1S)-2,2-dichloro-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]cyclopropane-1-carboxamide
CID 95986974

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea?
The IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea (CID 111482798) is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea.
What is the SMILES notation for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea?
The canonical SMILES for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea is Cc1nc(C)c(CNC(=O)NCC2(O)CCCc3ccccc32)s1.
What is the InChIKey of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea?
The InChIKey is VZFQTJACJLWASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-16(24-13(2)21-12)10-19-17(22)20-11-18(23)9-5-7-14-6-3-4-8-15(14)18/h3-4,6,8,23H,5,7,9-11H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea?
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea has a molecular weight of 345.47 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea is sourced from PubChem (CID 111482798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).