1-(2-tert-butyl-1,3-thiazol-5-yl)-3-phenylurea

C14H17N3OS — CID 122693163

IUPAC1-(2-tert-butyl-1,3-thiazol-5-yl)-3-phenylurea
SMILESCC(C)(C)c1ncc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C14H17N3OS/c1-14(2,3)12-15-9-11(19-12)17-13(18)16-10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,16,17,18)
InChIKeyDIIGSNIHWVIIGL-UHFFFAOYSA-N
MW275.38 g/mol
LogP4.08
Rot. Bonds2

About 1-(2-tert-butyl-1,3-thiazol-5-yl)-3-phenylurea

1-(2-tert-butyl-1,3-thiazol-5-yl)-3-phenylurea (PubChem CID 122693163) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-(2-tert-butyl-1,3-thiazol-5-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-tert-butyl-1,3-thiazol-5-yl)-3-phenylurea
PubChem CID122693163
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-(2-tert-butyl-1,3-thiazol-5-yl)-3-phenylurea
SMILESCC(C)(C)c1ncc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C14H17N3OS/c1-14(2,3)12-15-9-11(19-12)17-13(18)16-10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,16,17,18)
InChIKeyDIIGSNIHWVIIGL-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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Related Compounds

1-phenyl-3-(thiadiazol-5-yl)urea;sulfane
CID 90028590
1-[6-(methylamino)-3-pyridinyl]-3-phenylurea
CID 115268499
1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea
CID 113009091
1-[5-[[(2-hydroxy-2-methylpropanoyl)amino]carbamoyl]thiophen-2-yl]-3-phenylurea
CID 86806417
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 121086466
(5-tert-butyl-1,3,4-thiadiazol-2-yl) N-phenylcarbamate
CID 91182089
1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-thiophen-2-ylurea
CID 2814277
1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea
CID 113012942
2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide
CID 122693201
1-phenyl-3-[4-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea
CID 23876655
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-1,3-thiazol-5-yl)-3-phenylurea?
The IUPAC name of 1-(2-tert-butyl-1,3-thiazol-5-yl)-3-phenylurea (CID 122693163) is 1-(2-tert-butyl-1,3-thiazol-5-yl)-3-phenylurea.
What is the SMILES notation for 1-(2-tert-butyl-1,3-thiazol-5-yl)-3-phenylurea?
The canonical SMILES for 1-(2-tert-butyl-1,3-thiazol-5-yl)-3-phenylurea is CC(C)(C)c1ncc(NC(=O)Nc2ccccc2)s1.
What is the InChIKey of 1-(2-tert-butyl-1,3-thiazol-5-yl)-3-phenylurea?
The InChIKey is DIIGSNIHWVIIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-14(2,3)12-15-9-11(19-12)17-13(18)16-10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,16,17,18).
What are the key properties of 1-(2-tert-butyl-1,3-thiazol-5-yl)-3-phenylurea?
1-(2-tert-butyl-1,3-thiazol-5-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-(2-tert-butyl-1,3-thiazol-5-yl)-3-phenylurea is sourced from PubChem (CID 122693163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).