N-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide

C9H12N2OS — CID 110679374

IUPACN-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide
SMILESC=CCNC(=O)CCc1cscn1
InChIInChI=1S/C9H12N2OS/c1-2-5-10-9(12)4-3-8-6-13-7-11-8/h2,6-7H,1,3-5H2,(H,10,12)
InChIKeyRIQRCZSNNZFHKJ-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.38
Rot. Bonds5

About N-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide

N-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide (PubChem CID 110679374) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is N-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide
PubChem CID110679374
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC NameN-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide
SMILESC=CCNC(=O)CCc1cscn1
InChIInChI=1S/C9H12N2OS/c1-2-5-10-9(12)4-3-8-6-13-7-11-8/h2,6-7H,1,3-5H2,(H,10,12)
InChIKeyRIQRCZSNNZFHKJ-UHFFFAOYSA-N
XLogP1.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide
CID 119501389
2-[2-[3-(1,3-thiazol-4-yl)propanoylamino]ethylsulfanyl]acetic acid
CID 119241610
2-methyl-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 115731374
2,2-dimethyl-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 119249357
N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 63038406
N-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)propanamide
CID 110679486
4-chloro-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 63831533
N-[(2-methylphenyl)methyl]-3-(1,3-thiazol-4-yl)propanamide
CID 110679397
3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 47080825
2-[[3-(1,3-thiazol-4-yl)propanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244829
4-methyl-2-[[3-(1,3-thiazol-4-yl)propanoylamino]methyl]pentanoic acid
CID 119252885
N-cyclohexyl-3-(1,3-thiazol-4-yl)propanamide
CID 110679381

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide (CID 110679374) is N-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide is C=CCNC(=O)CCc1cscn1.
What is the InChIKey of N-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide?
The InChIKey is RIQRCZSNNZFHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-2-5-10-9(12)4-3-8-6-13-7-11-8/h2,6-7H,1,3-5H2,(H,10,12).
What are the key properties of N-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide?
N-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide has a molecular weight of 196.28 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110679374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).