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

C14H20N4OS2 — CID 116671637

IUPAC4-amino-2-[ethyl(methyl)amino]-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ccsc1CNC(=O)c1sc(N(C)CC)nc1N
InChIInChI=1S/C14H20N4OS2/c1-4-9-6-7-20-10(9)8-16-13(19)11-12(15)17-14(21-11)18(3)5-2/h6-7H,4-5,8,15H2,1-3H3,(H,16,19)
InChIKeyWOIZYXJMKGPIAU-UHFFFAOYSA-N
MW324.48 g/mol
LogP2.74
Rot. Bonds6

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

4-amino-2-[ethyl(methyl)amino]-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 116671637) has the molecular formula C14H20N4OS2 and a molecular weight of 324.48 g/mol. Its IUPAC name is 4-amino-2-[ethyl(methyl)amino]-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[ethyl(methyl)amino]-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID116671637
Molecular FormulaC14H20N4OS2
Molecular Weight324.48 g/mol
Exact Mass324.11
IUPAC Name4-amino-2-[ethyl(methyl)amino]-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ccsc1CNC(=O)c1sc(N(C)CC)nc1N
InChIInChI=1S/C14H20N4OS2/c1-4-9-6-7-20-10(9)8-16-13(19)11-12(15)17-14(21-11)18(3)5-2/h6-7H,4-5,8,15H2,1-3H3,(H,16,19)
InChIKeyWOIZYXJMKGPIAU-UHFFFAOYSA-N
XLogP2.74
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(cyclopropylamino)-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671641
4-amino-2-[ethyl(methyl)amino]-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116670630
4-amino-2-[ethyl(methyl)amino]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116665962
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-(2,2-dimethylbutyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 103466928
4-amino-2-[ethyl(methyl)amino]-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667475
4-amino-2-[ethyl(methyl)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668817
4-amino-2-[ethyl(methyl)amino]-N-(2-methylsulfinylethyl)-1,3-thiazole-5-carboxamide
CID 116673226
4-amino-2-[ethyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide
CID 116671772
4-amino-2-[ethyl(methyl)amino]-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116670265
4-amino-N-[3-(diethylamino)propyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116668561

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide (CID 116671637) is 4-amino-2-[ethyl(methyl)amino]-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-[ethyl(methyl)amino]-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-[ethyl(methyl)amino]-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide is CCc1ccsc1CNC(=O)c1sc(N(C)CC)nc1N.
What is the InChIKey of 4-amino-2-[ethyl(methyl)amino]-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WOIZYXJMKGPIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS2/c1-4-9-6-7-20-10(9)8-16-13(19)11-12(15)17-14(21-11)18(3)5-2/h6-7H,4-5,8,15H2,1-3H3,(H,16,19).
What are the key properties of 4-amino-2-[ethyl(methyl)amino]-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
4-amino-2-[ethyl(methyl)amino]-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 324.48 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[ethyl(methyl)amino]-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).