N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-2-methylpropanamide

C11H14IN3OS — CID 21216507

IUPACN-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-2-methylpropanamide
SMILESCc1cc(I)cnc1NC(=S)NC(=O)C(C)C
InChIInChI=1S/C11H14IN3OS/c1-6(2)10(16)15-11(17)14-9-7(3)4-8(12)5-13-9/h4-6H,1-3H3,(H2,13,14,15,16,17)
InChIKeyULIJEUCUCNFOEK-UHFFFAOYSA-N
MW363.22 g/mol
LogP2.46
Rot. Bonds2

About N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-2-methylpropanamide

N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-2-methylpropanamide (PubChem CID 21216507) has the molecular formula C11H14IN3OS and a molecular weight of 363.22 g/mol. Its IUPAC name is N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-2-methylpropanamide
PubChem CID21216507
Molecular FormulaC11H14IN3OS
Molecular Weight363.22 g/mol
Exact Mass362.99
IUPAC NameN-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-2-methylpropanamide
SMILESCc1cc(I)cnc1NC(=S)NC(=O)C(C)C
InChIInChI=1S/C11H14IN3OS/c1-6(2)10(16)15-11(17)14-9-7(3)4-8(12)5-13-9/h4-6H,1-3H3,(H2,13,14,15,16,17)
InChIKeyULIJEUCUCNFOEK-UHFFFAOYSA-N
XLogP2.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 21216550
N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 4681073
(E)-N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-3-phenylprop-2-enamide
CID 21216570
2,3-dichloro-N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]benzamide
CID 21216561
N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-3-methoxybenzamide
CID 21216525
N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 21216515
2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)acetamide
CID 126993024
N-(5-iodo-3-methyl-2-pyridinyl)-4-propan-2-ylbenzamide
CID 21216437
N-[(2,6-dimethylphenyl)carbamothioyl]-2-methylpropanamide
CID 4928043
N-(5-iodo-3-methyl-2-pyridinyl)-2-(1-methylindol-3-yl)propanamide
CID 166223965
2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)benzamide
CID 21216463
(E)-N-(5-iodo-3-methyl-2-pyridinyl)-3-phenylprop-2-enamide
CID 17374734

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-2-methylpropanamide?
The IUPAC name of N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-2-methylpropanamide (CID 21216507) is N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-2-methylpropanamide.
What is the SMILES notation for N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-2-methylpropanamide?
The canonical SMILES for N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-2-methylpropanamide is Cc1cc(I)cnc1NC(=S)NC(=O)C(C)C.
What is the InChIKey of N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-2-methylpropanamide?
The InChIKey is ULIJEUCUCNFOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3OS/c1-6(2)10(16)15-11(17)14-9-7(3)4-8(12)5-13-9/h4-6H,1-3H3,(H2,13,14,15,16,17).
What are the key properties of N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-2-methylpropanamide?
N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-2-methylpropanamide has a molecular weight of 363.22 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-2-methylpropanamide is sourced from PubChem (CID 21216507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).