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

C14H23N5OS — CID 106964534

IUPAC5-[(tert-butylamino)methyl]-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCc1cnc(C(C)Nc2nnc(CNC(C)(C)C)o2)s1
InChIInChI=1S/C14H23N5OS/c1-6-10-7-15-12(21-10)9(2)17-13-19-18-11(20-13)8-16-14(3,4)5/h7,9,16H,6,8H2,1-5H3,(H,17,19)
InChIKeyNFQCJCXVALRUEC-UHFFFAOYSA-N
MW309.44 g/mol
LogP3.15
Rot. Bonds6

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

5-[(tert-butylamino)methyl]-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106964534) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106964534
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name5-[(tert-butylamino)methyl]-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCc1cnc(C(C)Nc2nnc(CNC(C)(C)C)o2)s1
InChIInChI=1S/C14H23N5OS/c1-6-10-7-15-12(21-10)9(2)17-13-19-18-11(20-13)8-16-14(3,4)5/h7,9,16H,6,8H2,1-5H3,(H,17,19)
InChIKeyNFQCJCXVALRUEC-UHFFFAOYSA-N
XLogP3.15
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(tert-butylamino)methyl]-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

(1S)-1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 97353584
5-(cyclopropylmethyl)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 75484553
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 75484792
5-(2-methylpropyl)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 75520316
(1R)-1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 97353583
N-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 100737399
2-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine
CID 103437286
2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine
CID 103437294
2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 104212100
5-(ethylamino)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 104216279
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 104216295
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 104216300

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (CID 106964534) is 5-[(tert-butylamino)methyl]-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is CCc1cnc(C(C)Nc2nnc(CNC(C)(C)C)o2)s1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is NFQCJCXVALRUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-6-10-7-15-12(21-10)9(2)17-13-19-18-11(20-13)8-16-14(3,4)5/h7,9,16H,6,8H2,1-5H3,(H,17,19).
What are the key properties of 5-[(tert-butylamino)methyl]-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 309.44 g/mol, XLogP of 3.15, 6 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-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).