5-(2-methylpropyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine

C14H21N5O2S — CID 86814620

IUPAC5-(2-methylpropyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)Cc1nnc(NCc2cnc(N3CCOCC3)s2)o1
InChIInChI=1S/C14H21N5O2S/c1-10(2)7-12-17-18-13(21-12)15-8-11-9-16-14(22-11)19-3-5-20-6-4-19/h9-10H,3-8H2,1-2H3,(H,15,18)
InChIKeyWHFCXBXDDLLWSW-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.17
Rot. Bonds6

About 5-(2-methylpropyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine

5-(2-methylpropyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 86814620) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID86814620
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name5-(2-methylpropyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)Cc1nnc(NCc2cnc(N3CCOCC3)s2)o1
InChIInChI=1S/C14H21N5O2S/c1-10(2)7-12-17-18-13(21-12)15-8-11-9-16-14(22-11)19-3-5-20-6-4-19/h9-10H,3-8H2,1-2H3,(H,15,18)
InChIKeyWHFCXBXDDLLWSW-UHFFFAOYSA-N
XLogP2.17
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]pentanenitrile
CID 119115319
N,N-diethyl-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine
CID 119110920
N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 55116776
2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103503613
2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid
CID 82374896
N-(1H-imidazol-2-ylmethyl)-5-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 115925212
1-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62751244
N-methyl-1-(5-methylfuran-2-yl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine
CID 50952529
N-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62751980
N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62752073
N-ethyl-1-[2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 62967962
N,N-diethyl-1-(furan-2-yl)-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 119111563

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-methylpropyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 86814620) is 5-(2-methylpropyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-methylpropyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-methylpropyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine is CC(C)Cc1nnc(NCc2cnc(N3CCOCC3)s2)o1.
What is the InChIKey of 5-(2-methylpropyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is WHFCXBXDDLLWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-10(2)7-12-17-18-13(21-12)15-8-11-9-16-14(22-11)19-3-5-20-6-4-19/h9-10H,3-8H2,1-2H3,(H,15,18).
What are the key properties of 5-(2-methylpropyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-(2-methylpropyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 323.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86814620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).