1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-propan-2-ylphenyl)urea

C21H23N3O2S — CID 71691474

IUPAC1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-propan-2-ylphenyl)urea
SMILESCOc1ccc(-c2csc(CNC(=O)Nc3ccc(C(C)C)cc3)n2)cc1
InChIInChI=1S/C21H23N3O2S/c1-14(2)15-4-8-17(9-5-15)23-21(25)22-12-20-24-19(13-27-20)16-6-10-18(26-3)11-7-16/h4-11,13-14H,12H2,1-3H3,(H2,22,23,25)
InChIKeyZAILXXQPGQVXDM-UHFFFAOYSA-N
MW381.50 g/mol
LogP5.26
Rot. Bonds6

About 1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-propan-2-ylphenyl)urea

1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-propan-2-ylphenyl)urea (PubChem CID 71691474) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-propan-2-ylphenyl)urea
PubChem CID71691474
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-propan-2-ylphenyl)urea
SMILESCOc1ccc(-c2csc(CNC(=O)Nc3ccc(C(C)C)cc3)n2)cc1
InChIInChI=1S/C21H23N3O2S/c1-14(2)15-4-8-17(9-5-15)23-21(25)22-12-20-24-19(13-27-20)16-6-10-18(26-3)11-7-16/h4-11,13-14H,12H2,1-3H3,(H2,22,23,25)
InChIKeyZAILXXQPGQVXDM-UHFFFAOYSA-N
XLogP5.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
CID 71691444
N-[4-[2-[(phenylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351811
1-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-3-(4-nitrophenyl)urea
CID 47076384
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110351799
N-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62544495
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide
CID 39071665
1-[4-[(1S)-1-aminoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824997
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 108990560
1-(4-methoxyphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972614
3-[(4-methoxyphenyl)carbamoylamino]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 46571064
N-[4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 84567446
3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 71691502

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-propan-2-ylphenyl)urea (CID 71691474) is 1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-propan-2-ylphenyl)urea is COc1ccc(-c2csc(CNC(=O)Nc3ccc(C(C)C)cc3)n2)cc1.
What is the InChIKey of 1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-propan-2-ylphenyl)urea?
The InChIKey is ZAILXXQPGQVXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-14(2)15-4-8-17(9-5-15)23-21(25)22-12-20-24-19(13-27-20)16-6-10-18(26-3)11-7-16/h4-11,13-14H,12H2,1-3H3,(H2,22,23,25).
What are the key properties of 1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-propan-2-ylphenyl)urea?
1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-propan-2-ylphenyl)urea has a molecular weight of 381.50 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 71691474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).