N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

C12H20N4OS — CID 106406536

IUPACN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCCc2ncon2)S1
InChIInChI=1S/C12H20N4OS/c1-3-9(4-2)10-7-14-12(18-10)13-6-5-11-15-8-17-16-11/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyFGWWWNFBDMYABU-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.11
Rot. Bonds6

About N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106406536) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106406536
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCCc2ncon2)S1
InChIInChI=1S/C12H20N4OS/c1-3-9(4-2)10-7-14-12(18-10)13-6-5-11-15-8-17-16-11/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyFGWWWNFBDMYABU-UHFFFAOYSA-N
XLogP2.11
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N'-ethyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 106285198
N',N'-dimethyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine
CID 114168305
N'-cyclopropyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 114168349
N,N-dimethyl-3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 106285105
N-(1,2,4-oxadiazol-3-ylmethyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 106406422
N-[(4-methylphenyl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284896
N'-(2-methoxyethyl)-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 106285221
N-[(1-methylimidazol-2-yl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285264
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285706
N-(2-cyclopropylpropan-2-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285865
5-pentan-3-yl-N-(thiolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285741
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395964

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106406536) is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NCCc2ncon2)S1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is FGWWWNFBDMYABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-9(4-2)10-7-14-12(18-10)13-6-5-11-15-8-17-16-11/h8-10H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 268.39 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106406536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).