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

C12H22N4O2S — CID 116673701

IUPAC4-amino-2-[ethyl(methyl)amino]-N-(4-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCN(C)c1nc(N)c(C(=O)NC(C)(C)CCO)s1
InChIInChI=1S/C12H22N4O2S/c1-5-16(4)11-14-9(13)8(19-11)10(18)15-12(2,3)6-7-17/h17H,5-7,13H2,1-4H3,(H,15,18)
InChIKeyKAWGQCDKXVEAQZ-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.07
Rot. Bonds6

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

4-amino-2-[ethyl(methyl)amino]-N-(4-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116673701) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-amino-2-[ethyl(methyl)amino]-N-(4-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[ethyl(methyl)amino]-N-(4-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID116673701
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name4-amino-2-[ethyl(methyl)amino]-N-(4-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCN(C)c1nc(N)c(C(=O)NC(C)(C)CCO)s1
InChIInChI=1S/C12H22N4O2S/c1-5-16(4)11-14-9(13)8(19-11)10(18)15-12(2,3)6-7-17/h17H,5-7,13H2,1-4H3,(H,15,18)
InChIKeyKAWGQCDKXVEAQZ-UHFFFAOYSA-N
XLogP1.07
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-(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-N-(2,2-dimethylbutyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 103466928
4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116673706
4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116673698
4-amino-N-[3-(diethylamino)propyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116668561
4-amino-2-[ethyl(methyl)amino]-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 116663725
4-amino-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide
CID 116663662
4-amino-2-[ethyl(methyl)amino]-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide
CID 116670888
4-amino-2-[ethyl(methyl)amino]-N-(2-methylsulfinylethyl)-1,3-thiazole-5-carboxamide
CID 116673226

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-(4-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-(4-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide (CID 116673701) is 4-amino-2-[ethyl(methyl)amino]-N-(4-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-[ethyl(methyl)amino]-N-(4-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-[ethyl(methyl)amino]-N-(4-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide is CCN(C)c1nc(N)c(C(=O)NC(C)(C)CCO)s1.
What is the InChIKey of 4-amino-2-[ethyl(methyl)amino]-N-(4-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is KAWGQCDKXVEAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-5-16(4)11-14-9(13)8(19-11)10(18)15-12(2,3)6-7-17/h17H,5-7,13H2,1-4H3,(H,15,18).
What are the key properties of 4-amino-2-[ethyl(methyl)amino]-N-(4-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-[ethyl(methyl)amino]-N-(4-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[ethyl(methyl)amino]-N-(4-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).