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

C14H16ClN3OS — CID 2805113

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)urea
SMILESCC(C)(C)c1csc(NC(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H16ClN3OS/c1-14(2,3)11-8-20-13(17-11)18-12(19)16-10-6-4-9(15)5-7-10/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyBENVIHGIZDOUPU-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.74
Rot. Bonds2

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

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)urea (PubChem CID 2805113) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)urea
PubChem CID2805113
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)urea
SMILESCC(C)(C)c1csc(NC(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H16ClN3OS/c1-14(2,3)11-8-20-13(17-11)18-12(19)16-10-6-4-9(15)5-7-10/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyBENVIHGIZDOUPU-UHFFFAOYSA-N
XLogP4.74
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)urea?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)urea (CID 2805113) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)urea is CC(C)(C)c1csc(NC(=O)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)urea?
The InChIKey is BENVIHGIZDOUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-14(2,3)11-8-20-13(17-11)18-12(19)16-10-6-4-9(15)5-7-10/h4-8H,1-3H3,(H2,16,17,18,19).
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)urea?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)urea has a molecular weight of 309.82 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)urea is sourced from PubChem (CID 2805113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).