1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea

C15H19N3OS — CID 47433240

IUPAC1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C15H19N3OS/c1-10-9-20-14(16-10)18-13(19)17-12-7-5-11(6-8-12)15(2,3)4/h5-9H,1-4H3,(H2,16,17,18,19)
InChIKeyLIFOLDGVMOAWQB-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.39
Rot. Bonds2

About 1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea

1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 47433240) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID47433240
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C15H19N3OS/c1-10-9-20-14(16-10)18-13(19)17-12-7-5-11(6-8-12)15(2,3)4/h5-9H,1-4H3,(H2,16,17,18,19)
InChIKeyLIFOLDGVMOAWQB-UHFFFAOYSA-N
XLogP4.39
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopentylmethylamino)phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 86882671
1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane
CID 143608747
1-[4-[1-(ethylamino)ethyl]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 61341658
2-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid
CID 61195157
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CID 18567598
1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108884862
2-amino-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]propanamide;hydrochloride
CID 119321233
1-(2,2-dimethyl-1-phenylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
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4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 62173171
1-(4-methyl-1,3-thiazol-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915056
1-(4-tert-butylphenyl)-3-(4-chloro-6-methylpyrimidin-2-yl)urea
CID 122507249
N-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 47433240) is 1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea is Cc1csc(NC(=O)Nc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is LIFOLDGVMOAWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10-9-20-14(16-10)18-13(19)17-12-7-5-11(6-8-12)15(2,3)4/h5-9H,1-4H3,(H2,16,17,18,19).
What are the key properties of 1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 289.40 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 47433240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).