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

C12H22N4O2S — CID 116671772

IUPAC4-amino-2-[ethyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide
SMILESCCN(C)c1nc(N)c(C(=O)NCC(C)(C)CO)s1
InChIInChI=1S/C12H22N4O2S/c1-5-16(4)11-15-9(13)8(19-11)10(18)14-6-12(2,3)7-17/h17H,5-7,13H2,1-4H3,(H,14,18)
InChIKeyXQEGSGMUCXVHMS-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.93
Rot. Bonds6

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

4-amino-2-[ethyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 116671772) 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-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[ethyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID116671772
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name4-amino-2-[ethyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide
SMILESCCN(C)c1nc(N)c(C(=O)NCC(C)(C)CO)s1
InChIInChI=1S/C12H22N4O2S/c1-5-16(4)11-15-9(13)8(19-11)10(18)14-6-12(2,3)7-17/h17H,5-7,13H2,1-4H3,(H,14,18)
InChIKeyXQEGSGMUCXVHMS-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2,2-dimethylbutyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 103466928
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116664584
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-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667475
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-methylsulfinylethyl)-1,3-thiazole-5-carboxamide
CID 116673226
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-N-(2-ethoxypropyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116672975
4-amino-2-[ethyl(methyl)amino]-N-pent-4-enyl-1,3-thiazole-5-carboxamide
CID 114265110

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide (CID 116671772) is 4-amino-2-[ethyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-[ethyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-[ethyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide is CCN(C)c1nc(N)c(C(=O)NCC(C)(C)CO)s1.
What is the InChIKey of 4-amino-2-[ethyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XQEGSGMUCXVHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-5-16(4)11-15-9(13)8(19-11)10(18)14-6-12(2,3)7-17/h17H,5-7,13H2,1-4H3,(H,14,18).
What are the key properties of 4-amino-2-[ethyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide?
4-amino-2-[ethyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 0.93, 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-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).