4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide

C13H24N4OS — CID 116671241

IUPAC4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)N(CC)CC(C)CC)s1
InChIInChI=1S/C13H24N4OS/c1-5-9(4)8-17(7-3)12(18)10-11(14)16-13(19-10)15-6-2/h9H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyPXJMWMJYHRGECT-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.67
Rot. Bonds7

About 4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide

4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide (PubChem CID 116671241) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
PubChem CID116671241
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)N(CC)CC(C)CC)s1
InChIInChI=1S/C13H24N4OS/c1-5-9(4)8-17(7-3)12(18)10-11(14)16-13(19-10)15-6-2/h9H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyPXJMWMJYHRGECT-UHFFFAOYSA-N
XLogP2.67
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116669628
4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide
CID 116664355
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
4-amino-2-(ethylamino)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666497
4-amino-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665505
4-amino-2-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 116672171
4-amino-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116670593
4-amino-N-ethyl-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116664175
4-amino-N-ethyl-2-(ethylamino)-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116665070
4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116669635
4-amino-2-(dimethylamino)-N-methyl-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 116669684
4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116665637

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide (CID 116671241) is 4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)N(CC)CC(C)CC)s1.
What is the InChIKey of 4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide?
The InChIKey is PXJMWMJYHRGECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-5-9(4)8-17(7-3)12(18)10-11(14)16-13(19-10)15-6-2/h9H,5-8,14H2,1-4H3,(H,15,16).
What are the key properties of 4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide?
4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide has a molecular weight of 284.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).