N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C15H27N3O2S — CID 39467035

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C15H27N3O2S/c1-11(2)17(12(3)4)9-7-16-14(19)6-8-18-13(5)10-21-15(18)20/h10-12H,6-9H2,1-5H3,(H,16,19)
InChIKeyVIHCGJYGSCPUGN-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.84
Rot. Bonds8

About N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 39467035) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID39467035
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C15H27N3O2S/c1-11(2)17(12(3)4)9-7-16-14(19)6-8-18-13(5)10-21-15(18)20/h10-12H,6-9H2,1-5H3,(H,16,19)
InChIKeyVIHCGJYGSCPUGN-UHFFFAOYSA-N
XLogP1.84
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-2,2-difluoropropyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride
CID 120408369
N-(3-amino-2,2-difluoropropyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 120408370
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120811256
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120811257
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 133865230
N-cycloheptyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 4963584
N-(2,3-dihydro-1,3-thiazol-4-ylmethyl)-N-methylpropanamide
CID 129309953
2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-N-propan-2-ylacetamide
CID 130214752
3-[acetyl(butan-2-yl)amino]-N-[1-[3-(2-aminoethylamino)prop-1-en-2-ylsulfanyl]ethenyl]propanamide
CID 134600293
N-methyl-N-[2-[3-[2-(propylamino)prop-2-enylsulfanyl]prop-1-en-2-ylamino]ethyl]acetamide
CID 139516831
3-[[3-oxo-3-(prop-1-en-2-ylamino)propyl]disulfanyl]-N-propan-2-ylpropanamide
CID 178093664
N-cyclooctyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 16376800

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 39467035) is N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1csc(=O)n1CCC(=O)NCCN(C(C)C)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is VIHCGJYGSCPUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-11(2)17(12(3)4)9-7-16-14(19)6-8-18-13(5)10-21-15(18)20/h10-12H,6-9H2,1-5H3,(H,16,19).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 313.47 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 39467035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).