3-amino-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethyl]-3-imino-2-methylpropanamide

C9H14N6O2S — CID 88781852

IUPAC3-amino-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethyl]-3-imino-2-methylpropanamide
SMILES[H]/N=C(\N)C(C)C(=O)NC(C(N)=O)c1csc(N)n1
InChIInChI=1S/C9H14N6O2S/c1-3(6(10)11)8(17)15-5(7(12)16)4-2-18-9(13)14-4/h2-3,5H,1H3,(H3,10,11)(H2,12,16)(H2,13,14)(H,15,17)
InChIKeyYOLXFROEOIOLBF-UHFFFAOYSA-N
MW270.32 g/mol
LogP-1.06
Rot. Bonds5

About 3-amino-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethyl]-3-imino-2-methylpropanamide

3-amino-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethyl]-3-imino-2-methylpropanamide (PubChem CID 88781852) has the molecular formula C9H14N6O2S and a molecular weight of 270.32 g/mol. Its IUPAC name is 3-amino-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethyl]-3-imino-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethyl]-3-imino-2-methylpropanamide
PubChem CID88781852
Molecular FormulaC9H14N6O2S
Molecular Weight270.32 g/mol
Exact Mass270.09
IUPAC Name3-amino-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethyl]-3-imino-2-methylpropanamide
SMILES[H]/N=C(\N)C(C)C(=O)NC(C(N)=O)c1csc(N)n1
InChIInChI=1S/C9H14N6O2S/c1-3(6(10)11)8(17)15-5(7(12)16)4-2-18-9(13)14-4/h2-3,5H,1H3,(H3,10,11)(H2,12,16)(H2,13,14)(H,15,17)
InChIKeyYOLXFROEOIOLBF-UHFFFAOYSA-N
XLogP-1.06
TPSA160.97 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 5-1.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-amino-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethyl]-3-imino-2-methylpropanamide with MolForge

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Related Compounds

2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide
CID 62798707
4-(1-aminoethyl)-1,3-thiazol-2-amine
CID 64545491
4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 64543676
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanamide
CID 106344945
4-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine
CID 130517444
4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 58125052
2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 55115833
1-bromo-3-methylbutan-2-one;4-propan-2-yl-1,3-thiazol-2-amine
CID 87581796
2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid
CID 13490301
[3-amino-2-(2-amino-1,3-thiazol-4-yl)-3-oxopropyl] 2,2-dimethylpropanoate
CID 88775732
2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyacetaldehyde
CID 54337328
2-amino-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786815

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethyl]-3-imino-2-methylpropanamide?
The IUPAC name of 3-amino-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethyl]-3-imino-2-methylpropanamide (CID 88781852) is 3-amino-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethyl]-3-imino-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethyl]-3-imino-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethyl]-3-imino-2-methylpropanamide is [H]/N=C(\N)C(C)C(=O)NC(C(N)=O)c1csc(N)n1.
What is the InChIKey of 3-amino-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethyl]-3-imino-2-methylpropanamide?
The InChIKey is YOLXFROEOIOLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2S/c1-3(6(10)11)8(17)15-5(7(12)16)4-2-18-9(13)14-4/h2-3,5H,1H3,(H3,10,11)(H2,12,16)(H2,13,14)(H,15,17).
What are the key properties of 3-amino-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethyl]-3-imino-2-methylpropanamide?
3-amino-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethyl]-3-imino-2-methylpropanamide has a molecular weight of 270.32 g/mol, XLogP of -1.06, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethyl]-3-imino-2-methylpropanamide is sourced from PubChem (CID 88781852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).