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

C10H10N4OS — CID 43551246

IUPAC[4-(3-aminophenyl)-1,3-thiazol-2-yl]urea
SMILESNC(=O)Nc1nc(-c2cccc(N)c2)cs1
InChIInChI=1S/C10H10N4OS/c11-7-3-1-2-6(4-7)8-5-16-10(13-8)14-9(12)15/h1-5H,11H2,(H3,12,13,14,15)
InChIKeyLKWPRDXOWKGNDT-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.88
Rot. Bonds2

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

[4-(3-aminophenyl)-1,3-thiazol-2-yl]urea (PubChem CID 43551246) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is [4-(3-aminophenyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name[4-(3-aminophenyl)-1,3-thiazol-2-yl]urea
PubChem CID43551246
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name[4-(3-aminophenyl)-1,3-thiazol-2-yl]urea
SMILESNC(=O)Nc1nc(-c2cccc(N)c2)cs1
InChIInChI=1S/C10H10N4OS/c11-7-3-1-2-6(4-7)8-5-16-10(13-8)14-9(12)15/h1-5H,11H2,(H3,12,13,14,15)
InChIKeyLKWPRDXOWKGNDT-UHFFFAOYSA-N
XLogP1.88
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 28861460
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
CID 28861500
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 62056845
8-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]-8-oxooctanoic acid
CID 53323224
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide
CID 28861611
1-[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 82028259
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide
CID 28861553
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide
CID 78775294
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide
CID 28861731
[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl] N-tert-butylcarbamate;methanol
CID 176652783
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]phenyl] thiocyanate
CID 82028286

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminophenyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of [4-(3-aminophenyl)-1,3-thiazol-2-yl]urea (CID 43551246) is [4-(3-aminophenyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for [4-(3-aminophenyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for [4-(3-aminophenyl)-1,3-thiazol-2-yl]urea is NC(=O)Nc1nc(-c2cccc(N)c2)cs1.
What is the InChIKey of [4-(3-aminophenyl)-1,3-thiazol-2-yl]urea?
The InChIKey is LKWPRDXOWKGNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c11-7-3-1-2-6(4-7)8-5-16-10(13-8)14-9(12)15/h1-5H,11H2,(H3,12,13,14,15).
What are the key properties of [4-(3-aminophenyl)-1,3-thiazol-2-yl]urea?
[4-(3-aminophenyl)-1,3-thiazol-2-yl]urea has a molecular weight of 234.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminophenyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 43551246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).