1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)thiourea

C11H10ClN3S2 — CID 1225439

IUPAC1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)thiourea
SMILESCc1csc(NC(=S)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C11H10ClN3S2/c1-7-6-17-11(13-7)15-10(16)14-9-4-2-3-8(12)5-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyBNYMXHNGRALRBV-UHFFFAOYSA-N
MW283.81 g/mol
LogP3.91
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)thiourea

1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)thiourea (PubChem CID 1225439) has the molecular formula C11H10ClN3S2 and a molecular weight of 283.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)thiourea
PubChem CID1225439
Molecular FormulaC11H10ClN3S2
Molecular Weight283.81 g/mol
Exact Mass283.00
IUPAC Name1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)thiourea
SMILESCc1csc(NC(=S)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C11H10ClN3S2/c1-7-6-17-11(13-7)15-10(16)14-9-4-2-3-8(12)5-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyBNYMXHNGRALRBV-UHFFFAOYSA-N
XLogP3.91
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-Chlorophenyl)-N'-(4-methyl-1,3-thiazol-2-YL)urea
CID 727855
4-methyl-N-phenyl-1,3-thiazol-2-amine
CID 676722
4-tert-butyl-N-phenylthiazol-2-amine
CID 9899450
4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine
CID 971435
N-[4-(4-Chlorophenyl)-1,3-thiazol-2-YL]-N-phenylamine
CID 2806778
1-[2-(2-Chloroanilino)thiazole-4-yl]ethanone
CID 2744808
N-(4-chlorophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)urea
CID 727779
N-(4-chlorophenyl)-4-cyclopropyl-1,3-thiazol-2-amine
CID 714147
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-phenylthiourea
CID 874878
4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine
CID 2249763
N,3-bis(4-chlorophenyl)-4-methyl-1,3-thiazol-3-ium-2-amine bromide
CID 16196129
N-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-amine
CID 2228702

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)thiourea (CID 1225439) is 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)thiourea is Cc1csc(NC(=S)Nc2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)thiourea?
The InChIKey is BNYMXHNGRALRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3S2/c1-7-6-17-11(13-7)15-10(16)14-9-4-2-3-8(12)5-9/h2-6H,1H3,(H2,13,14,15,16).
What are the key properties of 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)thiourea?
1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)thiourea has a molecular weight of 283.81 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 1225439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).