6-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C14H20N6S — CID 133281812

IUPAC6-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cnn(CCNc2nn3cc(C(C)(C)C)nc3s2)c1
InChIInChI=1S/C14H20N6S/c1-10-7-16-19(8-10)6-5-15-12-18-20-9-11(14(2,3)4)17-13(20)21-12/h7-9H,5-6H2,1-4H3,(H,15,18)
InChIKeySUPIRXUUFBXFJG-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.71
Rot. Bonds4

About 6-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 133281812) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is 6-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID133281812
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC Name6-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cnn(CCNc2nn3cc(C(C)(C)C)nc3s2)c1
InChIInChI=1S/C14H20N6S/c1-10-7-16-19(8-10)6-5-15-12-18-20-9-11(14(2,3)4)17-13(20)21-12/h7-9H,5-6H2,1-4H3,(H,15,18)
InChIKeySUPIRXUUFBXFJG-UHFFFAOYSA-N
XLogP2.71
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N'-tert-butyl-N-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethane-1,2-diamine
CID 133287378
2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]pyrazol-1-yl]ethanol
CID 133272559
6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 47054436
6-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133366326
6-tert-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133271850
N-[2-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]-2,5-dimethylthiophene-3-sulfonamide
CID 133387752
3-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 103736495
6-tert-butyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133367401
6-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133390432
6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 35417217
(1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 51932499
N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2,6-difluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 133314722

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 133281812) is 6-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1cnn(CCNc2nn3cc(C(C)(C)C)nc3s2)c1.
What is the InChIKey of 6-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is SUPIRXUUFBXFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-10-7-16-19(8-10)6-5-15-12-18-20-9-11(14(2,3)4)17-13(20)21-12/h7-9H,5-6H2,1-4H3,(H,15,18).
What are the key properties of 6-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 304.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 133281812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).