N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide

C13H21N3O3S — CID 124749409

IUPACN-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
SMILESCc1nnsc1CN(C)C(=O)COC[C@@H]1CCCCO1
InChIInChI=1S/C13H21N3O3S/c1-10-12(20-15-14-10)7-16(2)13(17)9-18-8-11-5-3-4-6-19-11/h11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyANDWIWGYQGZRLS-NSHDSACASA-N
MW299.40 g/mol
LogP1.39
Rot. Bonds6

About N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide

N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide (PubChem CID 124749409) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
PubChem CID124749409
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
SMILESCc1nnsc1CN(C)C(=O)COC[C@@H]1CCCCO1
InChIInChI=1S/C13H21N3O3S/c1-10-12(20-15-14-10)7-16(2)13(17)9-18-8-11-5-3-4-6-19-11/h11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyANDWIWGYQGZRLS-NSHDSACASA-N
XLogP1.39
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124853248
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide
CID 91840455
N-(3-aminopropyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide
CID 43254240
N-methyl-2-[[(2R)-oxan-2-yl]methoxy]-N-(2-pyridin-4-ylethyl)acetamide
CID 99933824
2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 91843147
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(oxan-2-ylmethoxy)acetamide
CID 91775564
N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
CID 126833304
N-(2-cyanoethyl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
CID 43289554
N-[(3-cyanophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
CID 86868338
N-[(4-methylthiadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 65199521
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 90650357
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide?
The IUPAC name of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide (CID 124749409) is N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide.
What is the SMILES notation for N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide?
The canonical SMILES for N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide is Cc1nnsc1CN(C)C(=O)COC[C@@H]1CCCCO1.
What is the InChIKey of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide?
The InChIKey is ANDWIWGYQGZRLS-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10-12(20-15-14-10)7-16(2)13(17)9-18-8-11-5-3-4-6-19-11/h11H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide?
N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide has a molecular weight of 299.40 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide is sourced from PubChem (CID 124749409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).