1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)urea

C21H23N3O2S — CID 59380913

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)urea
SMILESCC(C)(C)c1csc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C21H23N3O2S/c1-21(2,3)18-14-27-20(23-18)24-19(25)22-16-9-11-17(12-10-16)26-13-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3,(H2,22,23,24,25)
InChIKeyDCWQQNFFJPNMCN-UHFFFAOYSA-N
MW381.50 g/mol
LogP5.66
Rot. Bonds5

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)urea

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)urea (PubChem CID 59380913) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)urea
PubChem CID59380913
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)urea
SMILESCC(C)(C)c1csc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C21H23N3O2S/c1-21(2,3)18-14-27-20(23-18)24-19(25)22-16-9-11-17(12-10-16)26-13-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3,(H2,22,23,24,25)
InChIKeyDCWQQNFFJPNMCN-UHFFFAOYSA-N
XLogP5.66
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 51054785
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107025368
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 1223668
1-(3-methyl-1,2-oxazol-5-yl)-3-(4-phenylmethoxyphenyl)urea
CID 59381123
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 78780585
2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide
CID 884766
2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide
CID 16551592
N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide
CID 108951508
1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
CID 2956271
N-(4-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948201
1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea
CID 108992618

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)urea?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)urea (CID 59380913) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)urea is CC(C)(C)c1csc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)n1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)urea?
The InChIKey is DCWQQNFFJPNMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-21(2,3)18-14-27-20(23-18)24-19(25)22-16-9-11-17(12-10-16)26-13-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)urea?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)urea has a molecular weight of 381.50 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)urea is sourced from PubChem (CID 59380913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).