2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide

C8H12N4O2S — CID 39162467

IUPAC2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NCCN)cs1
InChIInChI=1S/C8H12N4O2S/c1-5(13)11-8-12-6(4-15-8)7(14)10-3-2-9/h4H,2-3,9H2,1H3,(H,10,14)(H,11,12,13)
InChIKeyBPDZICOCQPSTPV-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.21
Rot. Bonds4

About 2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide

2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide (PubChem CID 39162467) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide
PubChem CID39162467
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NCCN)cs1
InChIInChI=1S/C8H12N4O2S/c1-5(13)11-8-12-6(4-15-8)7(14)10-3-2-9/h4H,2-3,9H2,1H3,(H,10,14)(H,11,12,13)
InChIKeyBPDZICOCQPSTPV-UHFFFAOYSA-N
XLogP-0.21
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 ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 55024347
2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 114618458
N-(2-aminoethyl)-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 149307839
2-acetamido-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 64530809
N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62788552
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243283
(2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid
CID 63715392
2-acetamido-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 115772815
5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 82009749
2-acetamido-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 53499370
2-acetamido-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]-1,3-thiazole-4-carboxamide
CID 97058404

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide (CID 39162467) is 2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)NCCN)cs1.
What is the InChIKey of 2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BPDZICOCQPSTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-5(13)11-8-12-6(4-15-8)7(14)10-3-2-9/h4H,2-3,9H2,1H3,(H,10,14)(H,11,12,13).
What are the key properties of 2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide?
2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 228.28 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 39162467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).