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

C11H20N4OS2 — CID 116666516

IUPAC4-amino-2-(tert-butylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
SMILESCSCCNC(=O)c1sc(NC(C)(C)C)nc1N
InChIInChI=1S/C11H20N4OS2/c1-11(2,3)15-10-14-8(12)7(18-10)9(16)13-5-6-17-4/h5-6,12H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyHKNCGNBPNCBELU-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.03
Rot. Bonds5

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

4-amino-2-(tert-butylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116666516) has the molecular formula C11H20N4OS2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-amino-2-(tert-butylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(tert-butylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
PubChem CID116666516
Molecular FormulaC11H20N4OS2
Molecular Weight288.44 g/mol
Exact Mass288.11
IUPAC Name4-amino-2-(tert-butylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
SMILESCSCCNC(=O)c1sc(NC(C)(C)C)nc1N
InChIInChI=1S/C11H20N4OS2/c1-11(2,3)15-10-14-8(12)7(18-10)9(16)13-5-6-17-4/h5-6,12H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyHKNCGNBPNCBELU-UHFFFAOYSA-N
XLogP2.03
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 116665457
4-amino-2-(tert-butylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide
CID 116668835
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(tert-butylamino)-1,3-thiazole-5-carboxamide
CID 106242080
4-amino-2-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116670268
4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116666526
4-amino-2-(tert-butylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 106174586
4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide
CID 116668033
4-amino-2-(tert-butylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116665116
4-amino-2-(tert-butylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116670296
4-amino-2-(tert-butylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668709
4-amino-2-(tert-butylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 116673285
4-amino-2-(tert-butylamino)-N-(1-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116671203

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(tert-butylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(tert-butylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide (CID 116666516) is 4-amino-2-(tert-butylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(tert-butylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(tert-butylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide is CSCCNC(=O)c1sc(NC(C)(C)C)nc1N.
What is the InChIKey of 4-amino-2-(tert-butylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HKNCGNBPNCBELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS2/c1-11(2,3)15-10-14-8(12)7(18-10)9(16)13-5-6-17-4/h5-6,12H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of 4-amino-2-(tert-butylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(tert-butylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(tert-butylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).