N-[4-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

C19H22N4O3S — CID 55880244

IUPACN-[4-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)Nc2cccc(OCCCC#N)c2)cs1
InChIInChI=1S/C19H22N4O3S/c1-13(2)18(25)23-19-22-15(12-27-19)11-17(24)21-14-6-5-7-16(10-14)26-9-4-3-8-20/h5-7,10,12-13H,3-4,9,11H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyUVRLVNKOZJSUGW-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.60
Rot. Bonds9

About N-[4-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

N-[4-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 55880244) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[4-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID55880244
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[4-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)Nc2cccc(OCCCC#N)c2)cs1
InChIInChI=1S/C19H22N4O3S/c1-13(2)18(25)23-19-22-15(12-27-19)11-17(24)21-14-6-5-7-16(10-14)26-9-4-3-8-20/h5-7,10,12-13H,3-4,9,11H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyUVRLVNKOZJSUGW-UHFFFAOYSA-N
XLogP3.60
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[4-[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 47071100
N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55878584
N-[4-[2-(3-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032647
N-[3-(3-cyanopropoxy)phenyl]-3-(propan-2-ylamino)propanamide
CID 60927655
3-amino-N-[3-(3-cyanopropoxy)phenyl]-2-methylpropanamide
CID 62670693
2-amino-N-[3-(3-cyanopropoxy)phenyl]-3-methylbutanamide
CID 60927001
N-(3-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567660
4-[3-(3-cyanopropoxy)anilino]-4-oxobutanoic acid
CID 60933599
N-[3-(3-cyanopropoxy)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 52698958
2-(2-amino-1,3-thiazol-4-yl)-N-(3-ethoxyphenyl)acetamide
CID 62800309
N-[3-(3-cyanopropoxy)phenyl]-2-methyl-2-(methylamino)propanamide
CID 62847252
2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide
CID 60928110

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 55880244) is N-[4-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc(CC(=O)Nc2cccc(OCCCC#N)c2)cs1.
What is the InChIKey of N-[4-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is UVRLVNKOZJSUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-13(2)18(25)23-19-22-15(12-27-19)11-17(24)21-14-6-5-7-16(10-14)26-9-4-3-8-20/h5-7,10,12-13H,3-4,9,11H2,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of N-[4-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[4-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 386.48 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 55880244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).