2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide

C11H10ClN3OS — CID 116792751

IUPAC2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide
SMILESCn1cc(Oc2cccc(Cl)c2C(N)=S)cn1
InChIInChI=1S/C11H10ClN3OS/c1-15-6-7(5-14-15)16-9-4-2-3-8(12)10(9)11(13)17/h2-6H,1H3,(H2,13,17)
InChIKeyGOCGCILHRNQIEW-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.50
Rot. Bonds3

About 2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide

2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide (PubChem CID 116792751) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide.

Molecular Properties

Compound Name2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide
PubChem CID116792751
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide
SMILESCn1cc(Oc2cccc(Cl)c2C(N)=S)cn1
InChIInChI=1S/C11H10ClN3OS/c1-15-6-7(5-14-15)16-9-4-2-3-8(12)10(9)11(13)17/h2-6H,1H3,(H2,13,17)
InChIKeyGOCGCILHRNQIEW-UHFFFAOYSA-N
XLogP2.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-(4-methoxyphenoxy)benzenecarbothioamide
CID 62497049
2-chloro-6-(3,5-dimethoxyphenoxy)benzenecarbothioamide
CID 62497559
2-chloro-6-(2,5-dimethylpyrazol-3-yl)oxybenzenecarbothioamide
CID 81346149
2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarbothioamide
CID 62495368
4-(2-carbamothioyl-3-chlorophenoxy)benzamide
CID 62495878
2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 114888730
2-chloro-6-quinolin-3-yloxybenzenecarbothioamide
CID 107387145
2-(1-methylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarboximidamide
CID 116792841
2-(2-bromophenoxy)-6-chlorobenzenecarbothioamide
CID 55079385
2-chloro-6-[(1-ethylpyrazol-4-yl)methoxy]benzenecarbothioamide
CID 114322950
2-(1-ethylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarbothioamide
CID 116801312
2-bromo-3-fluoro-4-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide
CID 107535715

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide?
The IUPAC name of 2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide (CID 116792751) is 2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide.
What is the SMILES notation for 2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide?
The canonical SMILES for 2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide is Cn1cc(Oc2cccc(Cl)c2C(N)=S)cn1.
What is the InChIKey of 2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide?
The InChIKey is GOCGCILHRNQIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-15-6-7(5-14-15)16-9-4-2-3-8(12)10(9)11(13)17/h2-6H,1H3,(H2,13,17).
What are the key properties of 2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide?
2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide has a molecular weight of 267.74 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide is sourced from PubChem (CID 116792751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).