6-tert-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C14H19N5OS — CID 133271850

IUPAC6-tert-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1nc(CNc2nn3cc(C(C)(C)C)nc3s2)oc1C
InChIInChI=1S/C14H19N5OS/c1-8-9(2)20-11(16-8)6-15-12-18-19-7-10(14(3,4)5)17-13(19)21-12/h7H,6H2,1-5H3,(H,15,18)
InChIKeyAAUDSGJRFVXNLD-UHFFFAOYSA-N
MW305.41 g/mol
LogP3.31
Rot. Bonds3

About 6-tert-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-tert-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 133271850) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 6-tert-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID133271850
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name6-tert-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1nc(CNc2nn3cc(C(C)(C)C)nc3s2)oc1C
InChIInChI=1S/C14H19N5OS/c1-8-9(2)20-11(16-8)6-15-12-18-19-7-10(14(3,4)5)17-13(19)21-12/h7H,6H2,1-5H3,(H,15,18)
InChIKeyAAUDSGJRFVXNLD-UHFFFAOYSA-N
XLogP3.31
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 53.31
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
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-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 47054436
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 106374123
6-tert-butyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133375400
6-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133281812
6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 35417217
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-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133390432
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106374365
6-tert-butyl-N-[1-(oxan-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133366228
(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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 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) is 6-tert-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-tert-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1nc(CNc2nn3cc(C(C)(C)C)nc3s2)oc1C.
What is the InChIKey of 6-tert-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is AAUDSGJRFVXNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-8-9(2)20-11(16-8)6-15-12-18-19-7-10(14(3,4)5)17-13(19)21-12/h7H,6H2,1-5H3,(H,15,18).
What are the key properties of 6-tert-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-tert-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 305.41 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 133271850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).