N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-2-amine

C9H17N3OS — CID 78974931

IUPACN-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-2-amine
SMILESCCOc1nnc(CNC(C)(C)C)s1
InChIInChI=1S/C9H17N3OS/c1-5-13-8-12-11-7(14-8)6-10-9(2,3)4/h10H,5-6H2,1-4H3
InChIKeyPBTPHGQUTKLYGQ-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.82
Rot. Bonds4

About N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-2-amine

N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 78974931) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID78974931
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC NameN-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-2-amine
SMILESCCOc1nnc(CNC(C)(C)C)s1
InChIInChI=1S/C9H17N3OS/c1-5-13-8-12-11-7(14-8)6-10-9(2,3)4/h10H,5-6H2,1-4H3
InChIKeyPBTPHGQUTKLYGQ-UHFFFAOYSA-N
XLogP1.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2-ethoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 80624275
(2S)-N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
CID 95901364
2-methyl-N-[[5-(3-methylbut-3-enoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 114470615
N-[[5-(3-methoxy-3-methylbutoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106667586
N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 80623383
2-methyl-N-[[5-(2-piperidin-1-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80619924
2-methyl-N-[[5-(3-pyridin-4-ylpropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80623770
N-[[5-(3,4-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 80624313
N-[[5-(3-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 80624786
N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80623914
N-[[5-(4-bromo-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 83134665
N-[[5-(5-chloro-2-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 80620776

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-2-amine (CID 78974931) is N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-2-amine is CCOc1nnc(CNC(C)(C)C)s1.
What is the InChIKey of N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is PBTPHGQUTKLYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-5-13-8-12-11-7(14-8)6-10-9(2,3)4/h10H,5-6H2,1-4H3.
What are the key properties of N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-2-amine?
N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 215.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 78974931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).