N-[(6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide

C21H19N3OS — CID 1224409

IUPACN-[(6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide
SMILESCc1cccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H19N3OS/c1-15-9-8-14-18(22-15)23-21(26)24-20(25)19(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-14,19H,1H3,(H2,22,23,24,25,26)
InChIKeyUNAXUDBJJDBYRD-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.04
Rot. Bonds4

About N-[(6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide

N-[(6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide (PubChem CID 1224409) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide
PubChem CID1224409
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC NameN-[(6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide
SMILESCc1cccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H19N3OS/c1-15-9-8-14-18(22-15)23-21(26)24-20(25)19(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-14,19H,1H3,(H2,22,23,24,25,26)
InChIKeyUNAXUDBJJDBYRD-UHFFFAOYSA-N
XLogP4.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.04
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-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide
CID 17115032
2,2-diphenyl-N-(pyridin-2-ylcarbamothioyl)acetamide
CID 920575
N-(6-methyl-2-pyridinyl)-2-phenylpropanamide
CID 70678328
1-(6-methyl-2-pyridinyl)-3-[(2S)-2-phenylpropyl]thiourea
CID 3008818
N-[(5-chloro-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide
CID 1048122
1-[(3-methylphenyl)-phenylmethyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 133216326
4-chloro-N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide
CID 880481
N-[(3-acetylphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 1346261
N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 4630986
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 1345142
1-(6-methyl-2-pyridinyl)-3-(4-phenylbutan-2-yl)thiourea
CID 133215865
2-[(2,2-diphenylacetyl)carbamothioylamino]benzoic acid
CID 4504563

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide?
The IUPAC name of N-[(6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide (CID 1224409) is N-[(6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide is Cc1cccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide?
The InChIKey is UNAXUDBJJDBYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-15-9-8-14-18(22-15)23-21(26)24-20(25)19(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-14,19H,1H3,(H2,22,23,24,25,26).
What are the key properties of N-[(6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide?
N-[(6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide has a molecular weight of 361.47 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide is sourced from PubChem (CID 1224409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).