3-acetamido-N-(1,3-thiazol-2-yl)propanamide

C8H11N3O2S — CID 2552425

IUPAC3-acetamido-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(=O)NCCC(=O)Nc1nccs1
InChIInChI=1S/C8H11N3O2S/c1-6(12)9-3-2-7(13)11-8-10-4-5-14-8/h4-5H,2-3H2,1H3,(H,9,12)(H,10,11,13)
InChIKeyRWCDNATZABDTHM-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.61
Rot. Bonds4

About 3-acetamido-N-(1,3-thiazol-2-yl)propanamide

3-acetamido-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 2552425) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 3-acetamido-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(1,3-thiazol-2-yl)propanamide
PubChem CID2552425
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name3-acetamido-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(=O)NCCC(=O)Nc1nccs1
InChIInChI=1S/C8H11N3O2S/c1-6(12)9-3-2-7(13)11-8-10-4-5-14-8/h4-5H,2-3H2,1H3,(H,9,12)(H,10,11,13)
InChIKeyRWCDNATZABDTHM-UHFFFAOYSA-N
XLogP0.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-acetamidoethyl)-2-(1,3-thiazol-2-ylamino)acetamide
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N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide
CID 50875911
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
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methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 72934835
4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23849935
4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride
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5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 82682761
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
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CID 129281286

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-acetamido-N-(1,3-thiazol-2-yl)propanamide (CID 2552425) is 3-acetamido-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-acetamido-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-acetamido-N-(1,3-thiazol-2-yl)propanamide is CC(=O)NCCC(=O)Nc1nccs1.
What is the InChIKey of 3-acetamido-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is RWCDNATZABDTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-6(12)9-3-2-7(13)11-8-10-4-5-14-8/h4-5H,2-3H2,1H3,(H,9,12)(H,10,11,13).
What are the key properties of 3-acetamido-N-(1,3-thiazol-2-yl)propanamide?
3-acetamido-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 213.26 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2552425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).