N-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide

C15H21N3O2S — CID 166407599

IUPACN-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)NC(c1ncc(C)s1)C1CC1
InChIInChI=1S/C15H21N3O2S/c1-4-13(20)18(5-2)9-12(19)17-14(11-6-7-11)15-16-8-10(3)21-15/h4,8,11,14H,1,5-7,9H2,2-3H3,(H,17,19)
InChIKeyAGICPCCTTCZCSH-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.05
Rot. Bonds7

About N-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide

N-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide (PubChem CID 166407599) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide
PubChem CID166407599
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)NC(c1ncc(C)s1)C1CC1
InChIInChI=1S/C15H21N3O2S/c1-4-13(20)18(5-2)9-12(19)17-14(11-6-7-11)15-16-8-10(3)21-15/h4,8,11,14H,1,5-7,9H2,2-3H3,(H,17,19)
InChIKeyAGICPCCTTCZCSH-UHFFFAOYSA-N
XLogP2.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.05
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide?
The IUPAC name of N-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide (CID 166407599) is N-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide.
What is the SMILES notation for N-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide?
The canonical SMILES for N-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide is C=CC(=O)N(CC)CC(=O)NC(c1ncc(C)s1)C1CC1.
What is the InChIKey of N-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide?
The InChIKey is AGICPCCTTCZCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-4-13(20)18(5-2)9-12(19)17-14(11-6-7-11)15-16-8-10(3)21-15/h4,8,11,14H,1,5-7,9H2,2-3H3,(H,17,19).
What are the key properties of N-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide?
N-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide has a molecular weight of 307.42 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide is sourced from PubChem (CID 166407599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).