2-(4-iodo-2-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one

C14H10IN3OS — CID 1302900

IUPAC2-(4-iodo-2-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one
SMILESCc1cc(I)ccc1Nc1nc(=O)c2cccnc2s1
InChIInChI=1S/C14H10IN3OS/c1-8-7-9(15)4-5-11(8)17-14-18-12(19)10-3-2-6-16-13(10)20-14/h2-7H,1H3,(H,17,18,19)
InChIKeySUDGUJARRAUQFE-UHFFFAOYSA-N
MW395.23 g/mol
LogP3.71
Rot. Bonds2

About 2-(4-iodo-2-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one

2-(4-iodo-2-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one (PubChem CID 1302900) has the molecular formula C14H10IN3OS and a molecular weight of 395.23 g/mol. Its IUPAC name is 2-(4-iodo-2-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one.

Molecular Properties

Compound Name2-(4-iodo-2-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one
PubChem CID1302900
Molecular FormulaC14H10IN3OS
Molecular Weight395.23 g/mol
Exact Mass394.96
IUPAC Name2-(4-iodo-2-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one
SMILESCc1cc(I)ccc1Nc1nc(=O)c2cccnc2s1
InChIInChI=1S/C14H10IN3OS/c1-8-7-9(15)4-5-11(8)17-14-18-12(19)10-3-2-6-16-13(10)20-14/h2-7H,1H3,(H,17,18,19)
InChIKeySUDGUJARRAUQFE-UHFFFAOYSA-N
XLogP3.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(4-oxopyrido[3,2-e][1,3]thiazin-2-yl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 5107165
3-[2-(4-iodo-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82162042
N-(4-iodo-2-methylphenyl)pyrimidin-4-amine
CID 141186074
2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxylic acid
CID 66853447
2-(2-bicyclo[2.2.1]heptanylamino)pyrido[3,2-e][1,3]thiazin-4-one
CID 23287602
2-(2-chloro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonitrile
CID 24739708
2-(2-fluoro-4-iodoanilino)-N,N-bis(2-hydroxyethyl)thieno[2,3-b]pyridine-3-carboxamide
CID 68918422
N-(2-chloro-4-iodophenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 107607244
N-(4-iodo-2-methylphenyl)quinoline-4-carboxamide
CID 134008388
N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide
CID 3865818
2-[methyl(thiophen-3-yl)amino]pyrido[3,2-e][1,3]thiazin-4-one
CID 23287621
4-iodo-2-methyl-N-(4-nitrophenyl)aniline
CID 4763873

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-2-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The IUPAC name of 2-(4-iodo-2-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one (CID 1302900) is 2-(4-iodo-2-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one.
What is the SMILES notation for 2-(4-iodo-2-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The canonical SMILES for 2-(4-iodo-2-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one is Cc1cc(I)ccc1Nc1nc(=O)c2cccnc2s1.
What is the InChIKey of 2-(4-iodo-2-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The InChIKey is SUDGUJARRAUQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN3OS/c1-8-7-9(15)4-5-11(8)17-14-18-12(19)10-3-2-6-16-13(10)20-14/h2-7H,1H3,(H,17,18,19).
What are the key properties of 2-(4-iodo-2-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one?
2-(4-iodo-2-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one has a molecular weight of 395.23 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-2-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one is sourced from PubChem (CID 1302900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).