N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-[[(2S)-oxolan-2-yl]methylamino]acetamide

C15H25N3O2S — CID 124693977

IUPACN-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
SMILESCc1nc(C)c([C@H](C)N(C)C(=O)CNC[C@@H]2CCCO2)s1
InChIInChI=1S/C15H25N3O2S/c1-10-15(21-12(3)17-10)11(2)18(4)14(19)9-16-8-13-6-5-7-20-13/h11,13,16H,5-9H2,1-4H3/t11-,13-/m0/s1
InChIKeyYFTVMKWGWTYKQN-AAEUAGOBSA-N
MW311.45 g/mol
LogP2.05
Rot. Bonds6

About N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-[[(2S)-oxolan-2-yl]methylamino]acetamide

N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-[[(2S)-oxolan-2-yl]methylamino]acetamide (PubChem CID 124693977) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-[[(2S)-oxolan-2-yl]methylamino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
PubChem CID124693977
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
SMILESCc1nc(C)c([C@H](C)N(C)C(=O)CNC[C@@H]2CCCO2)s1
InChIInChI=1S/C15H25N3O2S/c1-10-15(21-12(3)17-10)11(2)18(4)14(19)9-16-8-13-6-5-7-20-13/h11,13,16H,5-9H2,1-4H3/t11-,13-/m0/s1
InChIKeyYFTVMKWGWTYKQN-AAEUAGOBSA-N
XLogP2.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95759807
N-methyl-2-(oxolan-2-ylmethylamino)-N-propan-2-ylacetamide
CID 43180164
N-methyl-N-[(2-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119681688
N-methyl-N-(4-methylcyclohexyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119689914
N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 28585328
N-(5-methyl-1,3-thiazol-2-yl)-2-(oxolan-2-ylmethylamino)acetamide
CID 126468686
N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 71944060
methyl 2-[[(2R)-oxolan-2-yl]methylamino]acetate
CID 28585559
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119677925
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide
CID 119691955
N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119683651
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 167983187

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-[[(2S)-oxolan-2-yl]methylamino]acetamide?
The IUPAC name of N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-[[(2S)-oxolan-2-yl]methylamino]acetamide (CID 124693977) is N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-[[(2S)-oxolan-2-yl]methylamino]acetamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-[[(2S)-oxolan-2-yl]methylamino]acetamide?
The canonical SMILES for N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-[[(2S)-oxolan-2-yl]methylamino]acetamide is Cc1nc(C)c([C@H](C)N(C)C(=O)CNC[C@@H]2CCCO2)s1.
What is the InChIKey of N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-[[(2S)-oxolan-2-yl]methylamino]acetamide?
The InChIKey is YFTVMKWGWTYKQN-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-10-15(21-12(3)17-10)11(2)18(4)14(19)9-16-8-13-6-5-7-20-13/h11,13,16H,5-9H2,1-4H3/t11-,13-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-[[(2S)-oxolan-2-yl]methylamino]acetamide?
N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-[[(2S)-oxolan-2-yl]methylamino]acetamide has a molecular weight of 311.45 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-[[(2S)-oxolan-2-yl]methylamino]acetamide is sourced from PubChem (CID 124693977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).