4-amino-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide

C11H19N5O2S — CID 116669734

IUPAC4-amino-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)NCC(=O)NC)s1
InChIInChI=1S/C11H19N5O2S/c1-4-5-16(3)11-15-9(12)8(19-11)10(18)14-6-7(17)13-2/h4-6,12H2,1-3H3,(H,13,17)(H,14,18)
InChIKeyYEVUFAAATUPVDE-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.05
Rot. Bonds6

About 4-amino-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide

4-amino-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 116669734) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-amino-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID116669734
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name4-amino-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)NCC(=O)NC)s1
InChIInChI=1S/C11H19N5O2S/c1-4-5-16(3)11-15-9(12)8(19-11)10(18)14-6-7(17)13-2/h4-6,12H2,1-3H3,(H,13,17)(H,14,18)
InChIKeyYEVUFAAATUPVDE-UHFFFAOYSA-N
XLogP0.05
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116663495
4-amino-N-(3-methylbut-2-enyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 106199031
4-amino-2-[methyl(propyl)amino]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116669026
4-amino-2-[ethyl(methyl)amino]-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116670265
4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671824
4-amino-2-[methyl(propyl)amino]-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 116665952
4-amino-2-[methyl(propyl)amino]-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide
CID 116673120
4-amino-2-[methyl(propyl)amino]-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide
CID 116664858
4-amino-N-[(3-hydroxycyclobutyl)methyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671049
4-amino-N-(2-methyl-3-methylsulfanylpropyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116666557
4-amino-N-(4-amino-4-oxobutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116673603
4-amino-2-[methyl(propyl)amino]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide
CID 106434208

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide (CID 116669734) is 4-amino-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide is CCCN(C)c1nc(N)c(C(=O)NCC(=O)NC)s1.
What is the InChIKey of 4-amino-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is YEVUFAAATUPVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-4-5-16(3)11-15-9(12)8(19-11)10(18)14-6-7(17)13-2/h4-6,12H2,1-3H3,(H,13,17)(H,14,18).
What are the key properties of 4-amino-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
4-amino-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116669734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).