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

C13H24N4OS — CID 116663725

IUPAC4-amino-2-[ethyl(methyl)amino]-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCC(NC(=O)c1sc(N(C)CC)nc1N)C(C)C
InChIInChI=1S/C13H24N4OS/c1-6-9(8(3)4)15-12(18)10-11(14)16-13(19-10)17(5)7-2/h8-9H,6-7,14H2,1-5H3,(H,15,18)
InChIKeyKTAHFFTXAVQITN-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.35
Rot. Bonds6

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

4-amino-2-[ethyl(methyl)amino]-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116663725) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-amino-2-[ethyl(methyl)amino]-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[ethyl(methyl)amino]-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID116663725
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name4-amino-2-[ethyl(methyl)amino]-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCC(NC(=O)c1sc(N(C)CC)nc1N)C(C)C
InChIInChI=1S/C13H24N4OS/c1-6-9(8(3)4)15-12(18)10-11(14)16-13(19-10)17(5)7-2/h8-9H,6-7,14H2,1-5H3,(H,15,18)
InChIKeyKTAHFFTXAVQITN-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-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671207
4-amino-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide
CID 116663662
4-amino-2-[ethyl(methyl)amino]-N-hexan-3-yl-1,3-thiazole-5-carboxamide
CID 116665198
4-amino-2-[ethyl(methyl)amino]-N-pent-4-yn-2-yl-1,3-thiazole-5-carboxamide
CID 116672954
4-amino-2-(dimethylamino)-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1,3-thiazole-5-carboxamide
CID 116663869
4-amino-2-(dimethylamino)-N-(1-hydroxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106358502
4-amino-2-[ethyl(methyl)amino]-N-octan-4-yl-1,3-thiazole-5-carboxamide
CID 106029167
4-amino-2-[ethyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116663849
4-amino-2-(dimethylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667275
4-amino-N-butan-2-yl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116669640
4-amino-N-(2-ethoxypropyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116672975
4-amino-2-[ethyl(methyl)amino]-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667475

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide (CID 116663725) is 4-amino-2-[ethyl(methyl)amino]-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-[ethyl(methyl)amino]-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-[ethyl(methyl)amino]-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide is CCC(NC(=O)c1sc(N(C)CC)nc1N)C(C)C.
What is the InChIKey of 4-amino-2-[ethyl(methyl)amino]-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is KTAHFFTXAVQITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-6-9(8(3)4)15-12(18)10-11(14)16-13(19-10)17(5)7-2/h8-9H,6-7,14H2,1-5H3,(H,15,18).
What are the key properties of 4-amino-2-[ethyl(methyl)amino]-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-[ethyl(methyl)amino]-N-(2-methylpentan-3-yl)-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-2-[ethyl(methyl)amino]-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).