1-(2-chlorophenyl)-3-(4,6-dimethyl-2-pyridinyl)thiourea

C14H14ClN3S — CID 3005372

IUPAC1-(2-chlorophenyl)-3-(4,6-dimethyl-2-pyridinyl)thiourea
SMILESCc1cc(C)nc(NC(=S)Nc2ccccc2Cl)c1
InChIInChI=1S/C14H14ClN3S/c1-9-7-10(2)16-13(8-9)18-14(19)17-12-6-4-3-5-11(12)15/h3-8H,1-2H3,(H2,16,17,18,19)
InChIKeyKCNOTUVLBPOHOK-UHFFFAOYSA-N
MW291.81 g/mol
LogP4.16
Rot. Bonds2

About 1-(2-chlorophenyl)-3-(4,6-dimethyl-2-pyridinyl)thiourea

1-(2-chlorophenyl)-3-(4,6-dimethyl-2-pyridinyl)thiourea (PubChem CID 3005372) has the molecular formula C14H14ClN3S and a molecular weight of 291.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(4,6-dimethyl-2-pyridinyl)thiourea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(4,6-dimethyl-2-pyridinyl)thiourea
PubChem CID3005372
Molecular FormulaC14H14ClN3S
Molecular Weight291.81 g/mol
Exact Mass291.06
IUPAC Name1-(2-chlorophenyl)-3-(4,6-dimethyl-2-pyridinyl)thiourea
SMILESCc1cc(C)nc(NC(=S)Nc2ccccc2Cl)c1
InChIInChI=1S/C14H14ClN3S/c1-9-7-10(2)16-13(8-9)18-14(19)17-12-6-4-3-5-11(12)15/h3-8H,1-2H3,(H2,16,17,18,19)
InChIKeyKCNOTUVLBPOHOK-UHFFFAOYSA-N
XLogP4.16
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.81
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Chlorophenyl)-3-(pyridin-2-yl)thiourea
CID 972361
N-(4,6-dimethyl-2-pyridinyl)-N'-(3-fluorophenyl)thiourea
CID 2731490
1-(5-Chloropyridin-2-yl)-3-(2-phenylethyl)thiourea
CID 3001255
N-(2,4-difluorophenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea
CID 970757
1-(6-Methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 3342380
4-(2,4-dichlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)piperazine-1-carbothioamide
CID 49852986
4-(3,5-dichlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)piperazine-1-carbothioamide
CID 49853325
4-(4-chloro-2-fluorophenyl)-N-(4,6-dimethyl-2-pyridinyl)piperazine-1-carbothioamide
CID 53257116
4-(3-chloro-4-fluorophenyl)-N-(4,6-dimethyl-2-pyridinyl)piperazine-1-carbothioamide
CID 53257169
4-[2-chloro-4-(trifluoromethyl)phenyl]-N-(4,6-dimethylpyridin-2-yl)piperazine-1-carbothioamide
CID 53257176
N-(4,6-dimethyl-2-pyridinyl)-4-(2,3,4-trichlorophenyl)piperazine-1-carbothioamide
CID 53257198
N-(2,3-dichlorophenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea
CID 970728

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(4,6-dimethyl-2-pyridinyl)thiourea?
The IUPAC name of 1-(2-chlorophenyl)-3-(4,6-dimethyl-2-pyridinyl)thiourea (CID 3005372) is 1-(2-chlorophenyl)-3-(4,6-dimethyl-2-pyridinyl)thiourea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(4,6-dimethyl-2-pyridinyl)thiourea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(4,6-dimethyl-2-pyridinyl)thiourea is Cc1cc(C)nc(NC(=S)Nc2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(4,6-dimethyl-2-pyridinyl)thiourea?
The InChIKey is KCNOTUVLBPOHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3S/c1-9-7-10(2)16-13(8-9)18-14(19)17-12-6-4-3-5-11(12)15/h3-8H,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-(2-chlorophenyl)-3-(4,6-dimethyl-2-pyridinyl)thiourea?
1-(2-chlorophenyl)-3-(4,6-dimethyl-2-pyridinyl)thiourea has a molecular weight of 291.81 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(4,6-dimethyl-2-pyridinyl)thiourea is sourced from PubChem (CID 3005372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).