N-prop-2-enyl-1,3-thiazole-4-carboxamide

C7H8N2OS — CID 63038406

IUPACN-prop-2-enyl-1,3-thiazole-4-carboxamide
SMILESC=CCNC(=O)c1cscn1
InChIInChI=1S/C7H8N2OS/c1-2-3-8-7(10)6-4-11-5-9-6/h2,4-5H,1,3H2,(H,8,10)
InChIKeyHTVASJNMSCOCGO-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.06
Rot. Bonds3

About N-prop-2-enyl-1,3-thiazole-4-carboxamide

N-prop-2-enyl-1,3-thiazole-4-carboxamide (PubChem CID 63038406) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is N-prop-2-enyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-1,3-thiazole-4-carboxamide
PubChem CID63038406
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC NameN-prop-2-enyl-1,3-thiazole-4-carboxamide
SMILESC=CCNC(=O)c1cscn1
InChIInChI=1S/C7H8N2OS/c1-2-3-8-7(10)6-4-11-5-9-6/h2,4-5H,1,3H2,(H,8,10)
InChIKeyHTVASJNMSCOCGO-UHFFFAOYSA-N
XLogP1.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.06
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-[(E)-4-chlorobut-2-enyl]-1,3-thiazole-4-carboxamide
CID 81428963
N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 63038055
1,3-thiazole-4-carbohydrazide;hydrochloride
CID 146013643
N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide
CID 143320313
N-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide
CID 110679374
N-(4-bromobutyl)-1,3-thiazole-4-carboxamide
CID 106845763
N-butyl-1,3-thiazole-4-carboxamide;ethane
CID 176555037
N-pentyl-1,3-thiazole-4-carboxamide
CID 62045475
N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide
CID 84557796
2-(1,3-thiazole-4-carbonylamino)ethyl carbamate
CID 83205186
N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 175705206
N-[2-[ethyl(propyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 103719294

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-prop-2-enyl-1,3-thiazole-4-carboxamide (CID 63038406) is N-prop-2-enyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-prop-2-enyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-prop-2-enyl-1,3-thiazole-4-carboxamide is C=CCNC(=O)c1cscn1.
What is the InChIKey of N-prop-2-enyl-1,3-thiazole-4-carboxamide?
The InChIKey is HTVASJNMSCOCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-2-3-8-7(10)6-4-11-5-9-6/h2,4-5H,1,3H2,(H,8,10).
What are the key properties of N-prop-2-enyl-1,3-thiazole-4-carboxamide?
N-prop-2-enyl-1,3-thiazole-4-carboxamide has a molecular weight of 168.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63038406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).