N,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide

C9H13N5O3S — CID 62921565

IUPACN,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide
SMILESNC(=O)CN(CC(N)=O)C(=O)Cc1csc(N)n1
InChIInChI=1S/C9H13N5O3S/c10-6(15)2-14(3-7(11)16)8(17)1-5-4-18-9(12)13-5/h4H,1-3H2,(H2,10,15)(H2,11,16)(H2,12,13)
InChIKeyIHABCJOJDCCBAN-UHFFFAOYSA-N
MW271.30 g/mol
LogP-1.93
Rot. Bonds6

About N,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide

N,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide (PubChem CID 62921565) has the molecular formula C9H13N5O3S and a molecular weight of 271.30 g/mol. Its IUPAC name is N,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide
PubChem CID62921565
Molecular FormulaC9H13N5O3S
Molecular Weight271.30 g/mol
Exact Mass271.07
IUPAC NameN,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide
SMILESNC(=O)CN(CC(N)=O)C(=O)Cc1csc(N)n1
InChIInChI=1S/C9H13N5O3S/c10-6(15)2-14(3-7(11)16)8(17)1-5-4-18-9(12)13-5/h4H,1-3H2,(H2,10,15)(H2,11,16)(H2,12,13)
InChIKeyIHABCJOJDCCBAN-UHFFFAOYSA-N
XLogP-1.93
TPSA145.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-1.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 62798753
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673
2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 62800141
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62852454
2-(2-amino-1,3-thiazol-4-yl)-N-formylacetamide
CID 56988029
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 62798203
2-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62798161
2-(2-amino-1,3-thiazol-4-yl)-N-cyclohexyl-N-ethylacetamide
CID 62797286
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-cyclopropylamino]propanoic acid
CID 62797687
2-(2-amino-1,3-thiazol-4-yl)-N-butan-2-yl-N-(methylideneamino)acetamide
CID 123963267
2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide
CID 62799810

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide (CID 62921565) is N,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide is NC(=O)CN(CC(N)=O)C(=O)Cc1csc(N)n1.
What is the InChIKey of N,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide?
The InChIKey is IHABCJOJDCCBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3S/c10-6(15)2-14(3-7(11)16)8(17)1-5-4-18-9(12)13-5/h4H,1-3H2,(H2,10,15)(H2,11,16)(H2,12,13).
What are the key properties of N,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide?
N,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide has a molecular weight of 271.30 g/mol, XLogP of -1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 62921565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).