N-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine

C11H16N4OS2 — CID 82422489

IUPACN-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCCCc1ncc(-c2nnc(NCCOC)s2)s1
InChIInChI=1S/C11H16N4OS2/c1-3-4-9-13-7-8(17-9)10-14-15-11(18-10)12-5-6-16-2/h7H,3-6H2,1-2H3,(H,12,15)
InChIKeyDQMDRLGHWFDTHH-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.67
Rot. Bonds7

About N-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine

N-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 82422489) has the molecular formula C11H16N4OS2 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
PubChem CID82422489
Molecular FormulaC11H16N4OS2
Molecular Weight284.41 g/mol
Exact Mass284.08
IUPAC NameN-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCCCc1ncc(-c2nnc(NCCOC)s2)s1
InChIInChI=1S/C11H16N4OS2/c1-3-4-9-13-7-8(17-9)10-14-15-11(18-10)12-5-6-16-2/h7H,3-6H2,1-2H3,(H,12,15)
InChIKeyDQMDRLGHWFDTHH-UHFFFAOYSA-N
XLogP2.67
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 82424575
N-(2-methylpropyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82422487
N-butan-2-yl-5-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82422355
N-butan-2-yl-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82422488
5-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 82423311
5-(2-cyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 82423523
5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 82425681
5-(4-ethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 82428087
N-propyl-5-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82424489
N-(2-methoxyethyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82433513
4-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 82422365
5-[2-(furan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 82424522

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine (CID 82422489) is N-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine is CCCc1ncc(-c2nnc(NCCOC)s2)s1.
What is the InChIKey of N-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is DQMDRLGHWFDTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS2/c1-3-4-9-13-7-8(17-9)10-14-15-11(18-10)12-5-6-16-2/h7H,3-6H2,1-2H3,(H,12,15).
What are the key properties of N-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
N-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 284.41 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82422489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).