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

C11H16N4OS — CID 104952788

IUPAC3-tert-butyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1cnc(CNc2nc(C(C)(C)C)ns2)o1
InChIInChI=1S/C11H16N4OS/c1-7-5-12-8(16-7)6-13-10-14-9(15-17-10)11(2,3)4/h5H,6H2,1-4H3,(H,13,14,15)
InChIKeyVGUQTAFTGCHWSA-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.74
Rot. Bonds3

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

3-tert-butyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 104952788) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-tert-butyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID104952788
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name3-tert-butyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1cnc(CNc2nc(C(C)(C)C)ns2)o1
InChIInChI=1S/C11H16N4OS/c1-7-5-12-8(16-7)6-13-10-14-9(15-17-10)11(2,3)4/h5H,6H2,1-4H3,(H,13,14,15)
InChIKeyVGUQTAFTGCHWSA-UHFFFAOYSA-N
XLogP2.74
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 131107697
3-tert-butyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 104952782
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 133428506
5-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107143525
3-tert-butyl-N-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65271142
3-tert-butyl-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 114700767
N-[(4-bromothiophen-2-yl)methyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
CID 65274045
N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-methylethane-1,2-diamine
CID 65276265
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitro-1,3-thiazol-2-amine
CID 106373712
3-tert-butyl-N-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65270918
3-tert-butyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65276376
5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 106375173

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 104952788) is 3-tert-butyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine is Cc1cnc(CNc2nc(C(C)(C)C)ns2)o1.
What is the InChIKey of 3-tert-butyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is VGUQTAFTGCHWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-7-5-12-8(16-7)6-13-10-14-9(15-17-10)11(2,3)4/h5H,6H2,1-4H3,(H,13,14,15).
What are the key properties of 3-tert-butyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 252.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 104952788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).