N-ethyl-N-methyl-2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide

C11H21N3OS — CID 136666952

IUPACN-ethyl-N-methyl-2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide
SMILESCCN(C)C(=O)C/N=C1/NC(C(C)C)CS1
InChIInChI=1S/C11H21N3OS/c1-5-14(4)10(15)6-12-11-13-9(7-16-11)8(2)3/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyZJOJGGIKCVQEEO-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.18
Rot. Bonds4

About N-ethyl-N-methyl-2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide

N-ethyl-N-methyl-2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide (PubChem CID 136666952) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide
PubChem CID136666952
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC NameN-ethyl-N-methyl-2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide
SMILESCCN(C)C(=O)C/N=C1/NC(C(C)C)CS1
InChIInChI=1S/C11H21N3OS/c1-5-14(4)10(15)6-12-11-13-9(7-16-11)8(2)3/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyZJOJGGIKCVQEEO-UHFFFAOYSA-N
XLogP1.18
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide
CID 136871645
ethyl 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]propanoate
CID 136871756
N-(2-ethoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871885
N-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine
CID 136871648
N,N-dimethyl-3-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]propanamide
CID 136848164
N-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136938506
N,N-dimethyl-2-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethoxy]ethanamine
CID 136896920
(4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136949409
N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide
CID 136993329
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136690752
(4S)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136949279
N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136762665

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide?
The IUPAC name of N-ethyl-N-methyl-2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide (CID 136666952) is N-ethyl-N-methyl-2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide is CCN(C)C(=O)C/N=C1/NC(C(C)C)CS1.
What is the InChIKey of N-ethyl-N-methyl-2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide?
The InChIKey is ZJOJGGIKCVQEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-5-14(4)10(15)6-12-11-13-9(7-16-11)8(2)3/h8-9H,5-7H2,1-4H3,(H,12,13).
What are the key properties of N-ethyl-N-methyl-2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide?
N-ethyl-N-methyl-2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide has a molecular weight of 243.38 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide is sourced from PubChem (CID 136666952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).