1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylmethyl)urea

C22H19N3O2S — CID 121081387

IUPAC1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylmethyl)urea
SMILESCOc1cccc(-c2csc(NC(=O)NCc3cccc4ccccc34)n2)c1
InChIInChI=1S/C22H19N3O2S/c1-27-18-10-5-8-16(12-18)20-14-28-22(24-20)25-21(26)23-13-17-9-4-7-15-6-2-3-11-19(15)17/h2-12,14H,13H2,1H3,(H2,23,24,25,26)
InChIKeyMOXYFMRIWBFCTA-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.29
Rot. Bonds5

About 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylmethyl)urea

1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylmethyl)urea (PubChem CID 121081387) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylmethyl)urea
PubChem CID121081387
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylmethyl)urea
SMILESCOc1cccc(-c2csc(NC(=O)NCc3cccc4ccccc34)n2)c1
InChIInChI=1S/C22H19N3O2S/c1-27-18-10-5-8-16(12-18)20-14-28-22(24-20)25-21(26)23-13-17-9-4-7-15-6-2-3-11-19(15)17/h2-12,14H,13H2,1H3,(H2,23,24,25,26)
InChIKeyMOXYFMRIWBFCTA-UHFFFAOYSA-N
XLogP5.29
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea;hydrochloride
CID 87406316
2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 110452105
1-[4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 135231082
1-(4-ethyl-1,3-thiazol-2-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 87065383
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 19196276
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 86578418
3-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4564383
2-(4-ethylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196482
1-(3-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
CID 4519858
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4617193
2-[3-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]acetic acid
CID 28864738
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 16910410

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylmethyl)urea?
The IUPAC name of 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylmethyl)urea (CID 121081387) is 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylmethyl)urea.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylmethyl)urea?
The canonical SMILES for 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylmethyl)urea is COc1cccc(-c2csc(NC(=O)NCc3cccc4ccccc34)n2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylmethyl)urea?
The InChIKey is MOXYFMRIWBFCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-27-18-10-5-8-16(12-18)20-14-28-22(24-20)25-21(26)23-13-17-9-4-7-15-6-2-3-11-19(15)17/h2-12,14H,13H2,1H3,(H2,23,24,25,26).
What are the key properties of 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylmethyl)urea?
1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylmethyl)urea has a molecular weight of 389.48 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 121081387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).