4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide

C11H16N6O2S — CID 106412668

IUPAC4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NCCc2ncon2)s1
InChIInChI=1S/C11H16N6O2S/c1-2-4-14-11-16-9(12)8(20-11)10(18)13-5-3-7-15-6-19-17-7/h6H,2-5,12H2,1H3,(H,13,18)(H,14,16)
InChIKeyDESYZDIHPWMYSF-UHFFFAOYSA-N
MW296.36 g/mol
LogP0.90
Rot. Bonds7

About 4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide

4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 106412668) has the molecular formula C11H16N6O2S and a molecular weight of 296.36 g/mol. Its IUPAC name is 4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID106412668
Molecular FormulaC11H16N6O2S
Molecular Weight296.36 g/mol
Exact Mass296.11
IUPAC Name4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NCCc2ncon2)s1
InChIInChI=1S/C11H16N6O2S/c1-2-4-14-11-16-9(12)8(20-11)10(18)13-5-3-7-15-6-19-17-7/h6H,2-5,12H2,1H3,(H,13,18)(H,14,16)
InChIKeyDESYZDIHPWMYSF-UHFFFAOYSA-N
XLogP0.90
TPSA118.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

4-amino-2-(2-methoxyethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 106412648
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665515
4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671828
4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116674069
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea
CID 106395850
4-amino-N-(2-butoxyethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664892
4-amino-N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665607
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116669756
4-amino-2-(propylamino)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 116665541
3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
CID 106409151
4-amino-2-(propylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672287

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 106412668) is 4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)NCCc2ncon2)s1.
What is the InChIKey of 4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is DESYZDIHPWMYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2S/c1-2-4-14-11-16-9(12)8(20-11)10(18)13-5-3-7-15-6-19-17-7/h6H,2-5,12H2,1H3,(H,13,18)(H,14,16).
What are the key properties of 4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 296.36 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106412668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).