N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide

C8H12N4O2S — CID 62788552

IUPACN-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1csc(N)n1
InChIInChI=1S/C8H12N4O2S/c1-5(13)10-2-3-11-7(14)6-4-15-8(9)12-6/h4H,2-3H2,1H3,(H2,9,12)(H,10,13)(H,11,14)
InChIKeyOFCMOEYCVXRNAJ-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.41
Rot. Bonds4

About N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide

N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide (PubChem CID 62788552) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide
PubChem CID62788552
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC NameN-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1csc(N)n1
InChIInChI=1S/C8H12N4O2S/c1-5(13)10-2-3-11-7(14)6-4-15-8(9)12-6/h4H,2-3H2,1H3,(H2,9,12)(H,10,13)(H,11,14)
InChIKeyOFCMOEYCVXRNAJ-UHFFFAOYSA-N
XLogP-0.41
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide (CID 62788552) is N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide is CC(=O)NCCNC(=O)c1csc(N)n1.
What is the InChIKey of N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide?
The InChIKey is OFCMOEYCVXRNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-5(13)10-2-3-11-7(14)6-4-15-8(9)12-6/h4H,2-3H2,1H3,(H2,9,12)(H,10,13)(H,11,14).
What are the key properties of N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide?
N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide has a molecular weight of 228.28 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62788552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).