2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide

C12H20N4O2S — CID 91843147

IUPAC2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1nnsc1CN(C)CC(=O)NCC1CCCO1
InChIInChI=1S/C12H20N4O2S/c1-9-11(19-15-14-9)7-16(2)8-12(17)13-6-10-4-3-5-18-10/h10H,3-8H2,1-2H3,(H,13,17)
InChIKeyFNJSRJUJGNIBQH-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.57
Rot. Bonds6

About 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide

2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 91843147) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID91843147
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1nnsc1CN(C)CC(=O)NCC1CCCO1
InChIInChI=1S/C12H20N4O2S/c1-9-11(19-15-14-9)7-16(2)8-12(17)13-6-10-4-3-5-18-10/h10H,3-8H2,1-2H3,(H,13,17)
InChIKeyFNJSRJUJGNIBQH-UHFFFAOYSA-N
XLogP0.57
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylthiadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 65199521
2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94216554
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 78818567
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 78793510
N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124749409
2-[methyl(piperidin-4-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 79716446
2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 134711935
2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95304590
2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97075380
2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97075379
2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 124758787
2-(5,6-dimethylpyridazin-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 95352905

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide (CID 91843147) is 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide is Cc1nnsc1CN(C)CC(=O)NCC1CCCO1.
What is the InChIKey of 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is FNJSRJUJGNIBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-9-11(19-15-14-9)7-16(2)8-12(17)13-6-10-4-3-5-18-10/h10H,3-8H2,1-2H3,(H,13,17).
What are the key properties of 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 284.38 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 91843147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).