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

C13H23N5O2S — CID 116664442

IUPAC4-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)c1sc(N(C)CC)nc1N
InChIInChI=1S/C13H23N5O2S/c1-4-6-7-18(8-9(14)19)12(20)10-11(15)16-13(21-10)17(3)5-2/h4-8,15H2,1-3H3,(H2,14,19)
InChIKeyLUHTYIMDJITKOS-UHFFFAOYSA-N
MW313.43 g/mol
LogP0.91
Rot. Bonds8

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

4-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 116664442) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID116664442
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)c1sc(N(C)CC)nc1N
InChIInChI=1S/C13H23N5O2S/c1-4-6-7-18(8-9(14)19)12(20)10-11(15)16-13(21-10)17(3)5-2/h4-8,15H2,1-3H3,(H2,14,19)
InChIKeyLUHTYIMDJITKOS-UHFFFAOYSA-N
XLogP0.91
TPSA105.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide (CID 116664442) is 4-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide is CCCCN(CC(N)=O)C(=O)c1sc(N(C)CC)nc1N.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is LUHTYIMDJITKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-4-6-7-18(8-9(14)19)12(20)10-11(15)16-13(21-10)17(3)5-2/h4-8,15H2,1-3H3,(H2,14,19).
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
4-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).