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

C19H31N3O2S — CID 42770820

IUPACN-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enyldecanamide
SMILESC=CCN(CC(=O)Nc1ncc(C)s1)C(=O)CCCCCCCCC
InChIInChI=1S/C19H31N3O2S/c1-4-6-7-8-9-10-11-12-18(24)22(13-5-2)15-17(23)21-19-20-14-16(3)25-19/h5,14H,2,4,6-13,15H2,1,3H3,(H,20,21,23)
InChIKeyKUPMAAVWBPULFE-UHFFFAOYSA-N
MW365.54 g/mol
LogP4.55
Rot. Bonds13

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

N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enyldecanamide (PubChem CID 42770820) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enyldecanamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enyldecanamide
PubChem CID42770820
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC NameN-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enyldecanamide
SMILESC=CCN(CC(=O)Nc1ncc(C)s1)C(=O)CCCCCCCCC
InChIInChI=1S/C19H31N3O2S/c1-4-6-7-8-9-10-11-12-18(24)22(13-5-2)15-17(23)21-19-20-14-16(3)25-19/h5,14H,2,4,6-13,15H2,1,3H3,(H,20,21,23)
InChIKeyKUPMAAVWBPULFE-UHFFFAOYSA-N
XLogP4.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide
CID 5146409
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-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-prop-2-enylhexanamide
CID 4616355
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide
CID 42769068
2-[butyl(dimethylcarbamoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3424676
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide
CID 4155792
N-butyl-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 42663883
N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide
CID 4052980
N-butyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 42663885
4-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbenzamide
CID 4145952
2-[dodecanoyl(prop-2-enyl)amino]acetic acid
CID 79264275
2-[1-adamantylcarbamoyl(butyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3262573

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enyldecanamide?
The IUPAC name of N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enyldecanamide (CID 42770820) is N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enyldecanamide.
What is the SMILES notation for N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enyldecanamide?
The canonical SMILES for N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enyldecanamide is C=CCN(CC(=O)Nc1ncc(C)s1)C(=O)CCCCCCCCC.
What is the InChIKey of N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enyldecanamide?
The InChIKey is KUPMAAVWBPULFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-4-6-7-8-9-10-11-12-18(24)22(13-5-2)15-17(23)21-19-20-14-16(3)25-19/h5,14H,2,4,6-13,15H2,1,3H3,(H,20,21,23).
What are the key properties of N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enyldecanamide?
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enyldecanamide has a molecular weight of 365.54 g/mol, XLogP of 4.55, 13 rotatable bonds, 1 hydrogen bond donors, and 4 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-enyldecanamide is sourced from PubChem (CID 42770820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).