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

C14H17N3OS — CID 1484524

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylurea
SMILESCC(C)(C)c1csc(NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C14H17N3OS/c1-14(2,3)11-9-19-13(16-11)17-12(18)15-10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,15,16,17,18)
InChIKeyNGTNSIGGMGZQOJ-UHFFFAOYSA-N
MW275.38 g/mol
LogP4.08
Rot. Bonds2

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

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylurea (PubChem CID 1484524) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylurea
PubChem CID1484524
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylurea
SMILESCC(C)(C)c1csc(NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C14H17N3OS/c1-14(2,3)11-9-19-13(16-11)17-12(18)15-10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,15,16,17,18)
InChIKeyNGTNSIGGMGZQOJ-UHFFFAOYSA-N
XLogP4.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 54.08
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-phenylurea?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylurea (CID 1484524) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylurea.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylurea?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylurea is CC(C)(C)c1csc(NC(=O)Nc2ccccc2)n1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylurea?
The InChIKey is NGTNSIGGMGZQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-14(2,3)11-9-19-13(16-11)17-12(18)15-10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,15,16,17,18).
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylurea?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylurea has a molecular weight of 275.38 g/mol, XLogP of 4.08, 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-phenylurea is sourced from PubChem (CID 1484524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).