3,3-dicyclopropyl-N-(1,3-thiazol-2-yl)prop-2-enamide

C12H14N2OS — CID 47299476

IUPAC3,3-dicyclopropyl-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(C=C(C1CC1)C1CC1)Nc1nccs1
InChIInChI=1S/C12H14N2OS/c15-11(14-12-13-5-6-16-12)7-10(8-1-2-8)9-3-4-9/h5-9H,1-4H2,(H,13,14,15)
InChIKeyGZTUNFIJCWEENT-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.83
Rot. Bonds4

About 3,3-dicyclopropyl-N-(1,3-thiazol-2-yl)prop-2-enamide

3,3-dicyclopropyl-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 47299476) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 3,3-dicyclopropyl-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3,3-dicyclopropyl-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID47299476
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name3,3-dicyclopropyl-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(C=C(C1CC1)C1CC1)Nc1nccs1
InChIInChI=1S/C12H14N2OS/c15-11(14-12-13-5-6-16-12)7-10(8-1-2-8)9-3-4-9/h5-9H,1-4H2,(H,13,14,15)
InChIKeyGZTUNFIJCWEENT-UHFFFAOYSA-N
XLogP2.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 154975421
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide
CID 110687201
1-cyclopropyl-3-(1,3-thiazol-2-yl)urea
CID 108887577
N-(1,3-thiazol-2-yl)azetidine-2-carboxamide
CID 130992868
3-(3-methylbut-2-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 11781617
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide
CID 2313436
N-(1,3-thiazol-2-yl)prop-2-ynamide
CID 45121776
(3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 124976321
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
9-oxo-N-(1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 5067003
3-fluoro-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 126794153
(1S,6S)-6-(1,3-thiazol-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 842623

Frequently Asked Questions

What is the IUPAC name of 3,3-dicyclopropyl-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of 3,3-dicyclopropyl-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 47299476) is 3,3-dicyclopropyl-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for 3,3-dicyclopropyl-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for 3,3-dicyclopropyl-N-(1,3-thiazol-2-yl)prop-2-enamide is O=C(C=C(C1CC1)C1CC1)Nc1nccs1.
What is the InChIKey of 3,3-dicyclopropyl-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is GZTUNFIJCWEENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c15-11(14-12-13-5-6-16-12)7-10(8-1-2-8)9-3-4-9/h5-9H,1-4H2,(H,13,14,15).
What are the key properties of 3,3-dicyclopropyl-N-(1,3-thiazol-2-yl)prop-2-enamide?
3,3-dicyclopropyl-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 234.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dicyclopropyl-N-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 47299476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).