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

C13H24N4OS — CID 103466928

IUPAC4-amino-N-(2,2-dimethylbutyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCN(C)c1nc(N)c(C(=O)NCC(C)(C)CC)s1
InChIInChI=1S/C13H24N4OS/c1-6-13(3,4)8-15-11(18)9-10(14)16-12(19-9)17(5)7-2/h6-8,14H2,1-5H3,(H,15,18)
InChIKeyPNDMNNZEFYPRNV-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.35
Rot. Bonds6

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

4-amino-N-(2,2-dimethylbutyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 103466928) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethylbutyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethylbutyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID103466928
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name4-amino-N-(2,2-dimethylbutyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCN(C)c1nc(N)c(C(=O)NCC(C)(C)CC)s1
InChIInChI=1S/C13H24N4OS/c1-6-13(3,4)8-15-11(18)9-10(14)16-12(19-9)17(5)7-2/h6-8,14H2,1-5H3,(H,15,18)
InChIKeyPNDMNNZEFYPRNV-UHFFFAOYSA-N
XLogP2.35
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-[ethyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide
CID 116671772
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116664584
4-amino-2-[ethyl(methyl)amino]-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667475
4-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116672001
4-amino-2-[ethyl(methyl)amino]-N-(4-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116673701
4-amino-2-[ethyl(methyl)amino]-N-(2-methylsulfinylethyl)-1,3-thiazole-5-carboxamide
CID 116673226
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-[3-(diethylamino)propyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116668561
4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
CID 106280963
4-amino-2-[ethyl(methyl)amino]-N-pent-4-enyl-1,3-thiazole-5-carboxamide
CID 114265110
4-amino-N-(2-ethoxypropyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116672975

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethylbutyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,2-dimethylbutyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide (CID 103466928) is 4-amino-N-(2,2-dimethylbutyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethylbutyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-dimethylbutyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide is CCN(C)c1nc(N)c(C(=O)NCC(C)(C)CC)s1.
What is the InChIKey of 4-amino-N-(2,2-dimethylbutyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is PNDMNNZEFYPRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-6-13(3,4)8-15-11(18)9-10(14)16-12(19-9)17(5)7-2/h6-8,14H2,1-5H3,(H,15,18).
What are the key properties of 4-amino-N-(2,2-dimethylbutyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
4-amino-N-(2,2-dimethylbutyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 284.43 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethylbutyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103466928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).