5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine

C11H17N5OS — CID 106965416

IUPAC5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)NCc1nnc(NCc2cncs2)o1
InChIInChI=1S/C11H17N5OS/c1-11(2,3)14-6-9-15-16-10(17-9)13-5-8-4-12-7-18-8/h4,7,14H,5-6H2,1-3H3,(H,13,16)
InChIKeyCQSJANSKOAUYJF-UHFFFAOYSA-N
MW267.36 g/mol
LogP2.03
Rot. Bonds5

About 5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine

5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106965416) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106965416
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)NCc1nnc(NCc2cncs2)o1
InChIInChI=1S/C11H17N5OS/c1-11(2,3)14-6-9-15-16-10(17-9)13-5-8-4-12-7-18-8/h4,7,14H,5-6H2,1-3H3,(H,13,16)
InChIKeyCQSJANSKOAUYJF-UHFFFAOYSA-N
XLogP2.03
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(tert-butylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960373
4-[[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384429
5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967641
5-[(tert-butylamino)methyl]-N-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106968170
5-[(tert-butylamino)methyl]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106390517
5-[(tert-butylamino)methyl]-N-[(2,4-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960385
5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964745
5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968921
5-[(tert-butylamino)methyl]-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964534
N-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644065
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 112645383
5-[(tert-butylamino)methyl]-N-[2-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966361

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 106965416) is 5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine is CC(C)(C)NCc1nnc(NCc2cncs2)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is CQSJANSKOAUYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-11(2,3)14-6-9-15-16-10(17-9)13-5-8-4-12-7-18-8/h4,7,14H,5-6H2,1-3H3,(H,13,16).
What are the key properties of 5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 267.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106965416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).