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

C11H10N4O3S — CID 2950184

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-3-(2-nitrophenyl)urea
SMILESCc1csc(NC(=O)Nc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C11H10N4O3S/c1-7-6-19-11(12-7)14-10(16)13-8-4-2-3-5-9(8)15(17)18/h2-6H,1H3,(H2,12,13,14,16)
InChIKeyLQYSRVCLRUOTQB-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.00
Rot. Bonds3

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

1-(4-methyl-1,3-thiazol-2-yl)-3-(2-nitrophenyl)urea (PubChem CID 2950184) has the molecular formula C11H10N4O3S and a molecular weight of 278.29 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-nitrophenyl)urea.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-3-(2-nitrophenyl)urea
PubChem CID2950184
Molecular FormulaC11H10N4O3S
Molecular Weight278.29 g/mol
Exact Mass278.05
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-3-(2-nitrophenyl)urea
SMILESCc1csc(NC(=O)Nc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C11H10N4O3S/c1-7-6-19-11(12-7)14-10(16)13-8-4-2-3-5-9(8)15(17)18/h2-6H,1H3,(H2,12,13,14,16)
InChIKeyLQYSRVCLRUOTQB-UHFFFAOYSA-N
XLogP3.00
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-nitrophenyl)urea?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-nitrophenyl)urea (CID 2950184) is 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-nitrophenyl)urea.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-nitrophenyl)urea?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-nitrophenyl)urea is Cc1csc(NC(=O)Nc2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-nitrophenyl)urea?
The InChIKey is LQYSRVCLRUOTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S/c1-7-6-19-11(12-7)14-10(16)13-8-4-2-3-5-9(8)15(17)18/h2-6H,1H3,(H2,12,13,14,16).
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-nitrophenyl)urea?
1-(4-methyl-1,3-thiazol-2-yl)-3-(2-nitrophenyl)urea has a molecular weight of 278.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-nitrophenyl)urea is sourced from PubChem (CID 2950184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).