N-(2-methoxyethyl)-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide

C12H23N3O2S — CID 107858115

IUPACN-(2-methoxyethyl)-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESCOCCNC(=O)C(C)NC1=NC(C(C)C)CS1
InChIInChI=1S/C12H23N3O2S/c1-8(2)10-7-18-12(15-10)14-9(3)11(16)13-5-6-17-4/h8-10H,5-7H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyBAJOIYYGLFKVEF-UHFFFAOYSA-N
MW273.40 g/mol
LogP0.85
Rot. Bonds6

About N-(2-methoxyethyl)-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide

N-(2-methoxyethyl)-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (PubChem CID 107858115) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
PubChem CID107858115
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-(2-methoxyethyl)-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESCOCCNC(=O)C(C)NC1=NC(C(C)C)CS1
InChIInChI=1S/C12H23N3O2S/c1-8(2)10-7-18-12(15-10)14-9(3)11(16)13-5-6-17-4/h8-10H,5-7H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyBAJOIYYGLFKVEF-UHFFFAOYSA-N
XLogP0.85
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 107857799
2-[[4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N,N-dimethylpropanamide
CID 114210975
2-(dicyclopropylmethylamino)-N-(2-methoxyethyl)propanamide
CID 60714122
N-(2-methoxyethyl)-2-[(3-oxocyclopenten-1-yl)amino]propanamide
CID 104788694
2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide
CID 106958390
N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718
2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 113407922
2-[[(1S)-1-cyclohexylethyl]amino]-N-(2-methoxyethyl)propanamide
CID 81384699
2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide
CID 102731613
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 114766588
2-(2,2-dimethylhydrazinyl)-N-(2-methoxyethyl)propanamide
CID 83013633
2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide
CID 43088875

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (CID 107858115) is N-(2-methoxyethyl)-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is COCCNC(=O)C(C)NC1=NC(C(C)C)CS1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The InChIKey is BAJOIYYGLFKVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-8(2)10-7-18-12(15-10)14-9(3)11(16)13-5-6-17-4/h8-10H,5-7H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of N-(2-methoxyethyl)-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
N-(2-methoxyethyl)-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide has a molecular weight of 273.40 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is sourced from PubChem (CID 107858115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).