N-(4-methyl-1,3-thiazol-5-yl)-3-oxopropanamide

C7H8N2O2S — CID 175083454

IUPACN-(4-methyl-1,3-thiazol-5-yl)-3-oxopropanamide
SMILESCc1ncsc1NC(=O)CC=O
InChIInChI=1S/C7H8N2O2S/c1-5-7(12-4-8-5)9-6(11)2-3-10/h3-4H,2H2,1H3,(H,9,11)
InChIKeyULNOLAYRMHYFBL-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.98
Rot. Bonds3

About N-(4-methyl-1,3-thiazol-5-yl)-3-oxopropanamide

N-(4-methyl-1,3-thiazol-5-yl)-3-oxopropanamide (PubChem CID 175083454) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-5-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-5-yl)-3-oxopropanamide
PubChem CID175083454
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC NameN-(4-methyl-1,3-thiazol-5-yl)-3-oxopropanamide
SMILESCc1ncsc1NC(=O)CC=O
InChIInChI=1S/C7H8N2O2S/c1-5-7(12-4-8-5)9-6(11)2-3-10/h3-4H,2H2,1H3,(H,9,11)
InChIKeyULNOLAYRMHYFBL-UHFFFAOYSA-N
XLogP0.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-methyl-1,3-thiazol-5-yl)butanamide;dihydrochloride
CID 130804842
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide
CID 138996177
2-formyl-3-(4-hydroxyphenyl)-N-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide
CID 175081581
4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 63280743
2-(4-methyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide
CID 110679736
1-(1-iodopyrazol-4-yl)-3-(4-methyl-1,3-thiazol-5-yl)urea
CID 143899936
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
3-[formyl-(4-methyl-1,3-thiazol-5-yl)amino]propanoic acid
CID 20848632
N-(4-acetamidophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679721
1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide
CID 100647431
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63681267
N-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679572

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-5-yl)-3-oxopropanamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-5-yl)-3-oxopropanamide (CID 175083454) is N-(4-methyl-1,3-thiazol-5-yl)-3-oxopropanamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-5-yl)-3-oxopropanamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-5-yl)-3-oxopropanamide is Cc1ncsc1NC(=O)CC=O.
What is the InChIKey of N-(4-methyl-1,3-thiazol-5-yl)-3-oxopropanamide?
The InChIKey is ULNOLAYRMHYFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c1-5-7(12-4-8-5)9-6(11)2-3-10/h3-4H,2H2,1H3,(H,9,11).
What are the key properties of N-(4-methyl-1,3-thiazol-5-yl)-3-oxopropanamide?
N-(4-methyl-1,3-thiazol-5-yl)-3-oxopropanamide has a molecular weight of 184.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-5-yl)-3-oxopropanamide is sourced from PubChem (CID 175083454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).