1-[5-(4-iodoanilino)-3-oxo-1,2-thiazol-4-yl]-3-methylurea

C11H11IN4O2S — CID 58712573

IUPAC1-[5-(4-iodoanilino)-3-oxo-1,2-thiazol-4-yl]-3-methylurea
SMILESCNC(=O)Nc1c(Nc2ccc(I)cc2)s[nH]c1=O
InChIInChI=1S/C11H11IN4O2S/c1-13-11(18)15-8-9(17)16-19-10(8)14-7-4-2-6(12)3-5-7/h2-5,14H,1H3,(H,16,17)(H2,13,15,18)
InChIKeyCPZJWWDMKAEMJH-UHFFFAOYSA-N
MW390.21 g/mol
LogP2.54
Rot. Bonds3

About 1-[5-(4-iodoanilino)-3-oxo-1,2-thiazol-4-yl]-3-methylurea

1-[5-(4-iodoanilino)-3-oxo-1,2-thiazol-4-yl]-3-methylurea (PubChem CID 58712573) has the molecular formula C11H11IN4O2S and a molecular weight of 390.21 g/mol. Its IUPAC name is 1-[5-(4-iodoanilino)-3-oxo-1,2-thiazol-4-yl]-3-methylurea.

Molecular Properties

Compound Name1-[5-(4-iodoanilino)-3-oxo-1,2-thiazol-4-yl]-3-methylurea
PubChem CID58712573
Molecular FormulaC11H11IN4O2S
Molecular Weight390.21 g/mol
Exact Mass389.96
IUPAC Name1-[5-(4-iodoanilino)-3-oxo-1,2-thiazol-4-yl]-3-methylurea
SMILESCNC(=O)Nc1c(Nc2ccc(I)cc2)s[nH]c1=O
InChIInChI=1S/C11H11IN4O2S/c1-13-11(18)15-8-9(17)16-19-10(8)14-7-4-2-6(12)3-5-7/h2-5,14H,1H3,(H,16,17)(H2,13,15,18)
InChIKeyCPZJWWDMKAEMJH-UHFFFAOYSA-N
XLogP2.54
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.21
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[3-oxo-5-[(6-propan-2-yl-3-pyridinyl)amino]-1,2-thiazol-4-yl]urea
CID 58712504
1-[5-[(5-tert-butyl-3-pyridinyl)amino]-3-oxo-1,2-thiazol-4-yl]-3-methylurea
CID 58712371
1-[5-[[4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-3-oxo-1,2-thiazol-4-yl]-3-methylurea
CID 58712575
N-(4-iodophenyl)acetamide
CID 12147
N,N-dimethyl-3-oxo-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carboxamide
CID 58712236
N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide
CID 135988105
1-[5-(4-iodoanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375577
1-[4-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]-3-methylurea
CID 70612463
1-(4-iodo-2-methylphenyl)-3-methylurea
CID 47127604
2-(4-iodoanilino)-N-methylpropanamide
CID 43086006
5-iodo-2-(methylcarbamoylamino)benzoic acid
CID 63111629
3-methyl-N-[4-(methylcarbamoylamino)phenyl]but-2-enamide
CID 47144064

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-iodoanilino)-3-oxo-1,2-thiazol-4-yl]-3-methylurea?
The IUPAC name of 1-[5-(4-iodoanilino)-3-oxo-1,2-thiazol-4-yl]-3-methylurea (CID 58712573) is 1-[5-(4-iodoanilino)-3-oxo-1,2-thiazol-4-yl]-3-methylurea.
What is the SMILES notation for 1-[5-(4-iodoanilino)-3-oxo-1,2-thiazol-4-yl]-3-methylurea?
The canonical SMILES for 1-[5-(4-iodoanilino)-3-oxo-1,2-thiazol-4-yl]-3-methylurea is CNC(=O)Nc1c(Nc2ccc(I)cc2)s[nH]c1=O.
What is the InChIKey of 1-[5-(4-iodoanilino)-3-oxo-1,2-thiazol-4-yl]-3-methylurea?
The InChIKey is CPZJWWDMKAEMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4O2S/c1-13-11(18)15-8-9(17)16-19-10(8)14-7-4-2-6(12)3-5-7/h2-5,14H,1H3,(H,16,17)(H2,13,15,18).
What are the key properties of 1-[5-(4-iodoanilino)-3-oxo-1,2-thiazol-4-yl]-3-methylurea?
1-[5-(4-iodoanilino)-3-oxo-1,2-thiazol-4-yl]-3-methylurea has a molecular weight of 390.21 g/mol, XLogP of 2.54, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-iodoanilino)-3-oxo-1,2-thiazol-4-yl]-3-methylurea is sourced from PubChem (CID 58712573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).