[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]urea

C12H14N4OS — CID 100741988

IUPAC[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]urea
SMILESCCc1ccc(-c2csc(NNC(N)=O)n2)cc1
InChIInChI=1S/C12H14N4OS/c1-2-8-3-5-9(6-4-8)10-7-18-12(14-10)16-15-11(13)17/h3-7H,2H2,1H3,(H,14,16)(H3,13,15,17)
InChIKeyUCNCLVKKDROXCC-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.37
Rot. Bonds4

About [[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]urea

[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]urea (PubChem CID 100741988) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is [[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]urea.

Molecular Properties

Compound Name[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]urea
PubChem CID100741988
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]urea
SMILESCCc1ccc(-c2csc(NNC(N)=O)n2)cc1
InChIInChI=1S/C12H14N4OS/c1-2-8-3-5-9(6-4-8)10-7-18-12(14-10)16-15-11(13)17/h3-7H,2H2,1H3,(H,14,16)(H3,13,15,17)
InChIKeyUCNCLVKKDROXCC-UHFFFAOYSA-N
XLogP2.37
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 23889662
2,2-dichloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4072325
1-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 63523872
ethyl 3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]propanoate
CID 82316835
cis-(1R,2S)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 2453305
N-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 60642064
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 43470750
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 5212539
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetohydrazide
CID 2315799

Frequently Asked Questions

What is the IUPAC name of [[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]urea?
The IUPAC name of [[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]urea (CID 100741988) is [[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]urea.
What is the SMILES notation for [[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]urea?
The canonical SMILES for [[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]urea is CCc1ccc(-c2csc(NNC(N)=O)n2)cc1.
What is the InChIKey of [[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]urea?
The InChIKey is UCNCLVKKDROXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-2-8-3-5-9(6-4-8)10-7-18-12(14-10)16-15-11(13)17/h3-7H,2H2,1H3,(H,14,16)(H3,13,15,17).
What are the key properties of [[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]urea?
[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]urea has a molecular weight of 262.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]urea is sourced from PubChem (CID 100741988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).