N-[2-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-methylprop-2-enamide

C14H19N3O2S — CID 167956670

IUPACN-[2-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NC(c1nc(C)cs1)C1CC1
InChIInChI=1S/C14H19N3O2S/c1-4-12(19)17(3)7-11(18)16-13(10-5-6-10)14-15-9(2)8-20-14/h4,8,10,13H,1,5-7H2,2-3H3,(H,16,18)
InChIKeyONMYJJVVPGBIFJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.66
Rot. Bonds6

About N-[2-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-methylprop-2-enamide

N-[2-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-methylprop-2-enamide (PubChem CID 167956670) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[2-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-methylprop-2-enamide
PubChem CID167956670
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[2-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NC(c1nc(C)cs1)C1CC1
InChIInChI=1S/C14H19N3O2S/c1-4-12(19)17(3)7-11(18)16-13(10-5-6-10)14-15-9(2)8-20-14/h4,8,10,13H,1,5-7H2,2-3H3,(H,16,18)
InChIKeyONMYJJVVPGBIFJ-UHFFFAOYSA-N
XLogP1.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride
CID 119894159
N-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide
CID 166407599
3-amino-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylbutanamide
CID 120504188
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CID 97073699
(E)-N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 95777296
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CID 120613359
1-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-(3-ethyl-2-hydroxypentyl)urea
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CID 98351658
(2S,4S)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-4-carboxamide
CID 120637532
N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]pentan-2-amine
CID 115724057
(Z)-3-(4-chlorophenyl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-4,4,4-trifluorobut-2-enamide
CID 75362849
1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-2-hydroxy-2-phenylpropyl]urea
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Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-methylprop-2-enamide (CID 167956670) is N-[2-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CC(=O)NC(c1nc(C)cs1)C1CC1.
What is the InChIKey of N-[2-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-methylprop-2-enamide?
The InChIKey is ONMYJJVVPGBIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-12(19)17(3)7-11(18)16-13(10-5-6-10)14-15-9(2)8-20-14/h4,8,10,13H,1,5-7H2,2-3H3,(H,16,18).
What are the key properties of N-[2-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-methylprop-2-enamide?
N-[2-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-methylprop-2-enamide has a molecular weight of 293.39 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 167956670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).