4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide

C12H22N4O3S — CID 116665457

IUPAC4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)Nc1nc(N)c(C(=O)NCCOCCO)s1
InChIInChI=1S/C12H22N4O3S/c1-12(2,3)16-11-15-9(13)8(20-11)10(18)14-4-6-19-7-5-17/h17H,4-7,13H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyZXRRYXDVKMKPLP-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.67
Rot. Bonds7

About 4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide

4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 116665457) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID116665457
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)Nc1nc(N)c(C(=O)NCCOCCO)s1
InChIInChI=1S/C12H22N4O3S/c1-12(2,3)16-11-15-9(13)8(20-11)10(18)14-4-6-19-7-5-17/h17H,4-7,13H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyZXRRYXDVKMKPLP-UHFFFAOYSA-N
XLogP0.67
TPSA109.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide
CID 116668835
4-amino-2-(tert-butylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116666516
4-amino-2-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116670268
4-amino-N-(2-butoxyethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664892
4-amino-2-(tert-butylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 106174586
4-amino-2-(cyclopropylamino)-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide
CID 106311932
4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 116673637
4-amino-2-(tert-butylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116670296
4-amino-2-(tert-butylamino)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116670684
4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide
CID 116668033
4-amino-N-(5-hydroxypentyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 107324454

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide (CID 116665457) is 4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide is CC(C)(C)Nc1nc(N)c(C(=O)NCCOCCO)s1.
What is the InChIKey of 4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZXRRYXDVKMKPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-12(2,3)16-11-15-9(13)8(20-11)10(18)14-4-6-19-7-5-17/h17H,4-7,13H2,1-3H3,(H,14,18)(H,15,16).
What are the key properties of 4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 0.67, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116665457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).