N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide

C14H15N3O3S — CID 4155792

IUPACN-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide
SMILESC=CCN(CC(=O)Nc1ncc(C)s1)C(=O)c1ccco1
InChIInChI=1S/C14H15N3O3S/c1-3-6-17(13(19)11-5-4-7-20-11)9-12(18)16-14-15-8-10(2)21-14/h3-5,7-8H,1,6,9H2,2H3,(H,15,16,18)
InChIKeyWESIJXVAXTXDEZ-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.31
Rot. Bonds6

About N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide

N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide (PubChem CID 4155792) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide
PubChem CID4155792
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide
SMILESC=CCN(CC(=O)Nc1ncc(C)s1)C(=O)c1ccco1
InChIInChI=1S/C14H15N3O3S/c1-3-6-17(13(19)11-5-4-7-20-11)9-12(18)16-14-15-8-10(2)21-14/h3-5,7-8H,1,6,9H2,2H3,(H,15,16,18)
InChIKeyWESIJXVAXTXDEZ-UHFFFAOYSA-N
XLogP2.31
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide
CID 42770234
3-chloro-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylpropanamide
CID 42663901
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enyldecanamide
CID 42770820
N-(5-methyl-1,3-thiazol-2-yl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]acetamide
CID 42768537
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 813342
N-butyl-2,6-dimethoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 3663835
2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3395199
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 111473250
N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 4183857
N-cyclohexyl-4-[4-[[2-[furan-2-carbonyl(prop-2-enyl)amino]acetyl]amino]phenyl]piperazine-1-carboxamide
CID 42676735
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-prop-2-enylamino]acetamide
CID 42768503
3-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4559201

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide?
The IUPAC name of N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide (CID 4155792) is N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide?
The canonical SMILES for N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide is C=CCN(CC(=O)Nc1ncc(C)s1)C(=O)c1ccco1.
What is the InChIKey of N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide?
The InChIKey is WESIJXVAXTXDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-3-6-17(13(19)11-5-4-7-20-11)9-12(18)16-14-15-8-10(2)21-14/h3-5,7-8H,1,6,9H2,2H3,(H,15,16,18).
What are the key properties of N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide?
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide is sourced from PubChem (CID 4155792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).