1-(4-chlorophenyl)-3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]urea

C13H13ClN4O2S — CID 2743763

IUPAC1-(4-chlorophenyl)-3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]urea
SMILESCc1nc(C)c(C(=O)NNC(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C13H13ClN4O2S/c1-7-11(21-8(2)15-7)12(19)17-18-13(20)16-10-5-3-9(14)4-6-10/h3-6H,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyHHVHWLYMQPGOQW-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.88
Rot. Bonds2

About 1-(4-chlorophenyl)-3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]urea

1-(4-chlorophenyl)-3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]urea (PubChem CID 2743763) has the molecular formula C13H13ClN4O2S and a molecular weight of 324.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]urea
PubChem CID2743763
Molecular FormulaC13H13ClN4O2S
Molecular Weight324.79 g/mol
Exact Mass324.04
IUPAC Name1-(4-chlorophenyl)-3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]urea
SMILESCc1nc(C)c(C(=O)NNC(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C13H13ClN4O2S/c1-7-11(21-8(2)15-7)12(19)17-18-13(20)16-10-5-3-9(14)4-6-10/h3-6H,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyHHVHWLYMQPGOQW-UHFFFAOYSA-N
XLogP2.88
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.88
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]urea (CID 2743763) is 1-(4-chlorophenyl)-3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]urea is Cc1nc(C)c(C(=O)NNC(=O)Nc2ccc(Cl)cc2)s1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]urea?
The InChIKey is HHVHWLYMQPGOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2S/c1-7-11(21-8(2)15-7)12(19)17-18-13(20)16-10-5-3-9(14)4-6-10/h3-6H,1-2H3,(H,17,19)(H2,16,18,20).
What are the key properties of 1-(4-chlorophenyl)-3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]urea?
1-(4-chlorophenyl)-3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]urea has a molecular weight of 324.79 g/mol, XLogP of 2.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]urea is sourced from PubChem (CID 2743763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).