2-propan-2-yloxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide

C12H21N3O2S — CID 74238405

IUPAC2-propan-2-yloxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide
SMILESCC(C)OC(C)C(=O)NCc1snnc1C(C)C
InChIInChI=1S/C12H21N3O2S/c1-7(2)11-10(18-15-14-11)6-13-12(16)9(5)17-8(3)4/h7-9H,6H2,1-5H3,(H,13,16)
InChIKeyDUOGJIIYOMRJDO-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.09
Rot. Bonds6

About 2-propan-2-yloxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide

2-propan-2-yloxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide (PubChem CID 74238405) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide
PubChem CID74238405
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-propan-2-yloxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide
SMILESCC(C)OC(C)C(=O)NCc1snnc1C(C)C
InChIInChI=1S/C12H21N3O2S/c1-7(2)11-10(18-15-14-11)6-13-12(16)9(5)17-8(3)4/h7-9H,6H2,1-5H3,(H,13,16)
InChIKeyDUOGJIIYOMRJDO-UHFFFAOYSA-N
XLogP2.09
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
CID 65204858
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
CID 72902119
1-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 72863721
2-chloro-N-[(4-methylthiadiazol-5-yl)methyl]propanamide
CID 131066900
4-chloro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide
CID 119068538
5-ethyl-4-propan-2-ylthiadiazole
CID 67890638
1-(cyclopentanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 72914921
(2S)-2-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propane-1,2-diamine
CID 104867732
2,2-difluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
CID 115407053
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
CID 50964485
N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butan-1-amine
CID 65204165
2-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 50958824

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide?
The IUPAC name of 2-propan-2-yloxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide (CID 74238405) is 2-propan-2-yloxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-propan-2-yloxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-propan-2-yloxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide is CC(C)OC(C)C(=O)NCc1snnc1C(C)C.
What is the InChIKey of 2-propan-2-yloxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide?
The InChIKey is DUOGJIIYOMRJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-7(2)11-10(18-15-14-11)6-13-12(16)9(5)17-8(3)4/h7-9H,6H2,1-5H3,(H,13,16).
What are the key properties of 2-propan-2-yloxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide?
2-propan-2-yloxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide has a molecular weight of 271.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 74238405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).