1-(3-chlorophenyl)-3-(5-nitro-1,3-thiazol-2-yl)urea

C10H7ClN4O3S — CID 4672772

IUPAC1-(3-chlorophenyl)-3-(5-nitro-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C10H7ClN4O3S/c11-6-2-1-3-7(4-6)13-9(16)14-10-12-5-8(19-10)15(17)18/h1-5H,(H2,12,13,14,16)
InChIKeyNXPUNELXXALIHY-UHFFFAOYSA-N
MW298.71 g/mol
LogP3.35
Rot. Bonds3

About 1-(3-chlorophenyl)-3-(5-nitro-1,3-thiazol-2-yl)urea

1-(3-chlorophenyl)-3-(5-nitro-1,3-thiazol-2-yl)urea (PubChem CID 4672772) has the molecular formula C10H7ClN4O3S and a molecular weight of 298.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(5-nitro-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(5-nitro-1,3-thiazol-2-yl)urea
PubChem CID4672772
Molecular FormulaC10H7ClN4O3S
Molecular Weight298.71 g/mol
Exact Mass297.99
IUPAC Name1-(3-chlorophenyl)-3-(5-nitro-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C10H7ClN4O3S/c11-6-2-1-3-7(4-6)13-9(16)14-10-12-5-8(19-10)15(17)18/h1-5H,(H2,12,13,14,16)
InChIKeyNXPUNELXXALIHY-UHFFFAOYSA-N
XLogP3.35
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.71
LogP ≤ 53.35
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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Related Compounds

1-(5-nitro-1,3-thiazol-2-yl)-3-phenylthiourea;1-(5-nitro-1,3-thiazol-2-yl)-3-phenylurea
CID 165060570
1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]urea
CID 4078223
1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea
CID 16760870
1-(5-nitro-1,3-thiazol-2-yl)-3-(pyridin-4-ylmethyl)urea
CID 155551067
6-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 87717796
1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea
CID 834850
5-chloro-N-(3-chlorophenyl)-4-nitrothiophene-2-carboxamide
CID 110476388
1-(3-chlorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 741055
CID 168763640
CID 168763640
N-(5-nitro-1,3-thiazol-2-yl)-2,2-diphenylacetamide
CID 4598640
1-(2-bromo-4-nitrophenyl)-3-(3-chlorophenyl)urea
CID 19187569
3-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide
CID 2985108

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(5-nitro-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(5-nitro-1,3-thiazol-2-yl)urea (CID 4672772) is 1-(3-chlorophenyl)-3-(5-nitro-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(5-nitro-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(5-nitro-1,3-thiazol-2-yl)urea is O=C(Nc1cccc(Cl)c1)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(5-nitro-1,3-thiazol-2-yl)urea?
The InChIKey is NXPUNELXXALIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O3S/c11-6-2-1-3-7(4-6)13-9(16)14-10-12-5-8(19-10)15(17)18/h1-5H,(H2,12,13,14,16).
What are the key properties of 1-(3-chlorophenyl)-3-(5-nitro-1,3-thiazol-2-yl)urea?
1-(3-chlorophenyl)-3-(5-nitro-1,3-thiazol-2-yl)urea has a molecular weight of 298.71 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(5-nitro-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 4672772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).