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

C12H22N4O2S — CID 106259045

IUPAC3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCCC(CC)(CO)CNc1snc(N)c1C(=O)NC
InChIInChI=1S/C12H22N4O2S/c1-4-12(5-2,7-17)6-15-11-8(10(18)14-3)9(13)16-19-11/h15,17H,4-7H2,1-3H3,(H2,13,16)(H,14,18)
InChIKeyQJXVCMMVPLBMIB-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.30
Rot. Bonds7

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

3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 106259045) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID106259045
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCCC(CC)(CO)CNc1snc(N)c1C(=O)NC
InChIInChI=1S/C12H22N4O2S/c1-4-12(5-2,7-17)6-15-11-8(10(18)14-3)9(13)16-19-11/h15,17H,4-7H2,1-3H3,(H2,13,16)(H,14,18)
InChIKeyQJXVCMMVPLBMIB-UHFFFAOYSA-N
XLogP1.30
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1,2-thiazole-4-carboxylate
CID 106259044
ethyl 3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1,2-thiazole-4-carboxylate
CID 106259004
3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide
CID 103382526
3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382715
3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 106259011
3-amino-5-(2-methoxyethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382263
3-amino-5-(1-hydroxybutan-2-ylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382875
3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382838
ethyl 3-amino-5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,2-thiazole-4-carboxylate
CID 103383657
3-amino-5-[(2-ethoxy-2-methylpropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384833
3-amino-N-methyl-5-[(2-methyl-3-methylsulfanylpropyl)amino]-1,2-thiazole-4-carboxamide
CID 103381250
3-amino-N-methyl-5-[(1-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxamide
CID 103380656

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-methyl-1,2-thiazole-4-carboxamide (CID 106259045) is 3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-methyl-1,2-thiazole-4-carboxamide is CCC(CC)(CO)CNc1snc(N)c1C(=O)NC.
What is the InChIKey of 3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is QJXVCMMVPLBMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-4-12(5-2,7-17)6-15-11-8(10(18)14-3)9(13)16-19-11/h15,17H,4-7H2,1-3H3,(H2,13,16)(H,14,18).
What are the key properties of 3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 1.30, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 106259045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).