4-amino-N-(2-amino-2-oxoethyl)-2-(tert-butylamino)-N-methyl-1,3-thiazole-5-carboxamide

C11H19N5O2S — CID 116669855

IUPAC4-amino-N-(2-amino-2-oxoethyl)-2-(tert-butylamino)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(CC(N)=O)C(=O)c1sc(NC(C)(C)C)nc1N
InChIInChI=1S/C11H19N5O2S/c1-11(2,3)15-10-14-8(13)7(19-10)9(18)16(4)5-6(12)17/h5,13H2,1-4H3,(H2,12,17)(H,14,15)
InChIKeyUVOACIVWADRPRL-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.49
Rot. Bonds4

About 4-amino-N-(2-amino-2-oxoethyl)-2-(tert-butylamino)-N-methyl-1,3-thiazole-5-carboxamide

4-amino-N-(2-amino-2-oxoethyl)-2-(tert-butylamino)-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 116669855) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-2-(tert-butylamino)-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-2-(tert-butylamino)-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID116669855
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-2-(tert-butylamino)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(CC(N)=O)C(=O)c1sc(NC(C)(C)C)nc1N
InChIInChI=1S/C11H19N5O2S/c1-11(2,3)15-10-14-8(13)7(19-10)9(18)16(4)5-6(12)17/h5,13H2,1-4H3,(H2,12,17)(H,14,15)
InChIKeyUVOACIVWADRPRL-UHFFFAOYSA-N
XLogP0.49
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(tert-butylamino)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116670684
4-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669861
4-amino-N-(2-amino-2-oxoethyl)-2-(cyclobutylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669863
4-amino-2-(tert-butylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116663310
4-amino-2-(tert-butylamino)-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide
CID 116669495
4-amino-N-butyl-2-(tert-butylamino)-N-ethyl-1,3-thiazole-5-carboxamide
CID 116668319
4-amino-2-(tert-butylamino)-N-(cyclopropylmethyl)-N-ethyl-1,3-thiazole-5-carboxamide
CID 116666481
4-amino-2-(tert-butylamino)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 116673353
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(tert-butylamino)-1,3-thiazole-5-carboxamide
CID 106242080
4-amino-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116670593
4-amino-2-(tert-butylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 116666650
4-amino-2-(ethylamino)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666497

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-2-(tert-butylamino)-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-2-(tert-butylamino)-N-methyl-1,3-thiazole-5-carboxamide (CID 116669855) is 4-amino-N-(2-amino-2-oxoethyl)-2-(tert-butylamino)-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-2-(tert-butylamino)-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-2-(tert-butylamino)-N-methyl-1,3-thiazole-5-carboxamide is CN(CC(N)=O)C(=O)c1sc(NC(C)(C)C)nc1N.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-2-(tert-butylamino)-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is UVOACIVWADRPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-11(2,3)15-10-14-8(13)7(19-10)9(18)16(4)5-6(12)17/h5,13H2,1-4H3,(H2,12,17)(H,14,15).
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-2-(tert-butylamino)-N-methyl-1,3-thiazole-5-carboxamide?
4-amino-N-(2-amino-2-oxoethyl)-2-(tert-butylamino)-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-amino-2-oxoethyl)-2-(tert-butylamino)-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116669855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).