4-amino-2-[ethyl(methyl)amino]-N-(4-iodophenyl)-1,3-thiazole-5-carboxamide

C13H15IN4OS — CID 116669238

IUPAC4-amino-2-[ethyl(methyl)amino]-N-(4-iodophenyl)-1,3-thiazole-5-carboxamide
SMILESCCN(C)c1nc(N)c(C(=O)Nc2ccc(I)cc2)s1
InChIInChI=1S/C13H15IN4OS/c1-3-18(2)13-17-11(15)10(20-13)12(19)16-9-6-4-8(14)5-7-9/h4-7H,3,15H2,1-2H3,(H,16,19)
InChIKeyYLPZISJHZPRRRK-UHFFFAOYSA-N
MW402.26 g/mol
LogP3.04
Rot. Bonds4

About 4-amino-2-[ethyl(methyl)amino]-N-(4-iodophenyl)-1,3-thiazole-5-carboxamide

4-amino-2-[ethyl(methyl)amino]-N-(4-iodophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 116669238) has the molecular formula C13H15IN4OS and a molecular weight of 402.26 g/mol. Its IUPAC name is 4-amino-2-[ethyl(methyl)amino]-N-(4-iodophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[ethyl(methyl)amino]-N-(4-iodophenyl)-1,3-thiazole-5-carboxamide
PubChem CID116669238
Molecular FormulaC13H15IN4OS
Molecular Weight402.26 g/mol
Exact Mass402.00
IUPAC Name4-amino-2-[ethyl(methyl)amino]-N-(4-iodophenyl)-1,3-thiazole-5-carboxamide
SMILESCCN(C)c1nc(N)c(C(=O)Nc2ccc(I)cc2)s1
InChIInChI=1S/C13H15IN4OS/c1-3-18(2)13-17-11(15)10(20-13)12(19)16-9-6-4-8(14)5-7-9/h4-7H,3,15H2,1-2H3,(H,16,19)
InChIKeyYLPZISJHZPRRRK-UHFFFAOYSA-N
XLogP3.04
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.26
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[ethyl(methyl)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668817
4-amino-2-[ethyl(methyl)amino]-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668996
4-amino-2-[methyl(propyl)amino]-N-(6-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 116671678
4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116669239
4-amino-2-(dimethylamino)-N-(4-ethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 116667999
4-amino-2-[ethyl(methyl)amino]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 116663781
4-amino-2-[ethyl(methyl)amino]-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667475
4-amino-N-cyclopent-3-en-1-yl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116673262
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116664584
4-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116672001
4-amino-N-(3-fluorophenyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116668450
4-amino-2-[ethyl(methyl)amino]-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 116663725

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-(4-iodophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-(4-iodophenyl)-1,3-thiazole-5-carboxamide (CID 116669238) is 4-amino-2-[ethyl(methyl)amino]-N-(4-iodophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-[ethyl(methyl)amino]-N-(4-iodophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-[ethyl(methyl)amino]-N-(4-iodophenyl)-1,3-thiazole-5-carboxamide is CCN(C)c1nc(N)c(C(=O)Nc2ccc(I)cc2)s1.
What is the InChIKey of 4-amino-2-[ethyl(methyl)amino]-N-(4-iodophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YLPZISJHZPRRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN4OS/c1-3-18(2)13-17-11(15)10(20-13)12(19)16-9-6-4-8(14)5-7-9/h4-7H,3,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-2-[ethyl(methyl)amino]-N-(4-iodophenyl)-1,3-thiazole-5-carboxamide?
4-amino-2-[ethyl(methyl)amino]-N-(4-iodophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 402.26 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[ethyl(methyl)amino]-N-(4-iodophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116669238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).