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

C11H16N4OS2 — CID 82433513

IUPACN-(2-methoxyethyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCOCCNc1nnc(-c2scnc2C(C)C)s1
InChIInChI=1S/C11H16N4OS2/c1-7(2)8-9(17-6-13-8)10-14-15-11(18-10)12-4-5-16-3/h6-7H,4-5H2,1-3H3,(H,12,15)
InChIKeyRKTIVTUYVYPADG-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.84
Rot. Bonds6

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

N-(2-methoxyethyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 82433513) has the molecular formula C11H16N4OS2 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
PubChem CID82433513
Molecular FormulaC11H16N4OS2
Molecular Weight284.41 g/mol
Exact Mass284.08
IUPAC NameN-(2-methoxyethyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCOCCNc1nnc(-c2scnc2C(C)C)s1
InChIInChI=1S/C11H16N4OS2/c1-7(2)8-9(17-6-13-8)10-14-15-11(18-10)12-4-5-16-3/h6-7H,4-5H2,1-3H3,(H,12,15)
InChIKeyRKTIVTUYVYPADG-UHFFFAOYSA-N
XLogP2.84
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.84
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-(4-ethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 82428087
5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82433506
N-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82422489
5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 82425681
N-ethyl-5-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82433612
5-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 116812434
5-benzylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 4819058
1-(2-methoxyethyl)-3-[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
CID 82526499
5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 82424575
5-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 60514341
N-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 7969896
N-ethyl-5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82425679

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine (CID 82433513) is N-(2-methoxyethyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine is COCCNc1nnc(-c2scnc2C(C)C)s1.
What is the InChIKey of N-(2-methoxyethyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is RKTIVTUYVYPADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS2/c1-7(2)8-9(17-6-13-8)10-14-15-11(18-10)12-4-5-16-3/h6-7H,4-5H2,1-3H3,(H,12,15).
What are the key properties of N-(2-methoxyethyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
N-(2-methoxyethyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 284.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82433513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).