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

C18H17N3O2S — CID 4519858

IUPAC1-(3-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
SMILESCOc1cccc(NC(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1
InChIInChI=1S/C18H17N3O2S/c1-12-6-8-13(9-7-12)16-11-24-18(20-16)21-17(22)19-14-4-3-5-15(10-14)23-2/h3-11H,1-2H3,(H2,19,20,21,22)
InChIKeyLSNMXRQZRUNGLX-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.77
Rot. Bonds4

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

1-(3-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]urea (PubChem CID 4519858) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
PubChem CID4519858
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name1-(3-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
SMILESCOc1cccc(NC(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1
InChIInChI=1S/C18H17N3O2S/c1-12-6-8-13(9-7-12)16-11-24-18(20-16)21-17(22)19-14-4-3-5-15(10-14)23-2/h3-11H,1-2H3,(H2,19,20,21,22)
InChIKeyLSNMXRQZRUNGLX-UHFFFAOYSA-N
XLogP4.77
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[[4-(4-methoxyanilino)-6-[(3-methylphenyl)carbamoylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 11757966
1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 1044223
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748170
4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891
methane;4-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 158194768
2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848687
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
1-[(3-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea;hydrochloride
CID 87406316
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2090704
3-methoxy-N-[3-[1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]sulfanylphenyl]benzamide
CID 18899613

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]urea (CID 4519858) is 1-(3-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]urea is COc1cccc(NC(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]urea?
The InChIKey is LSNMXRQZRUNGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-6-8-13(9-7-12)16-11-24-18(20-16)21-17(22)19-14-4-3-5-15(10-14)23-2/h3-11H,1-2H3,(H2,19,20,21,22).
What are the key properties of 1-(3-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]urea?
1-(3-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]urea has a molecular weight of 339.42 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 4519858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).